A0A087YET5_POEFO Loading...

F-box protein 22

AlphaFold DB , UniProt , Accession A0A087YET5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 388 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1N41.7Very low41.6Very low214 Ų214151.5 Ų151.5100%1.14483%0.826SS**  0125.40-90.8-7.3000109.4
2M42.9Very low42.3Very low186 Ų186156 Ų15692%0.91683%0.833SS**  trans65.8106.6166.5-71.2176.159.200119.1
3S34.3Very low43.1Very low113 Ų113158.2 Ų158.279%0.7984%0.835SS**  trans159136.9136.959.60000108.1
4E39.5Very low44.3Very low171 Ų171156.8 Ų156.880%0.79983%0.828SS**  cis-161.5137.3-4-112.9169.9174.900103.6L6E4-L6 PolarHBondContact O-N 3.19Å
5S47.8Very low46.7Very low114 Ų114153.2 Ų153.280%0.79781%0.81SS**  trans-71.4116.1169.446.70000109.3
6L39.2Very low49.2Very low137 Ų137154.6 Ų154.672%0.71781%0.807SS**  trans-112.991.9164.2-86.2159.8000108.6E4 F8E4-L6 PolarHBondContact O-N 3.19Å; L6-F8 PolarHBondContact O-N 3.13Å; L6-F8 VanDerWaalsContact O-N 3.13Å
7D43.7Very low51.2Low154 Ų154148.8 Ų148.882%0.82479%0.786SS**  trans-57.7103157.7-85.4-38.4000108.8C9D7-C9 PolarHBondContact O-N 3.44Å
8F37.2Very low53.1Low179 Ų179143.1 Ų143.179%0.78576%0.764SS**  trans-83.575.2160.4-90.2-88.5000108.6L6L6-F8 PolarHBondContact O-N 3.13Å; L6-F8 VanDerWaalsContact O-N 3.13Å
9C43.5Very low55Low118 Ų118143.1 Ų143.180%0.79775%0.753SS**  trans-99.383.5162.5-143.60000107.4D7D7-C9 PolarHBondContact O-N 3.44Å
10E41.8Very low56.7Low165 Ų165138.5 Ų138.577%0.77173%0.731SS**  trans-67.8126.9164.2-81.1-163.6155.900108.4F12E10-F12 PolarHBondContact O-N 2.8Å
11P45.7Very low58.2Low115 Ų115134.7 Ų134.775%0.74771%0.711SS**  trans-69.5123174.628.5-29.4000107.5Q13P11-Q13 PolarHBondContact O-N 2.91Å
12F50.3Low60.5Low206 Ų206128 Ų12890%0.90468%0.681SS**  trans-45.2105.7165.4-85.7-96.2000108E10 D14E10-F12 PolarHBondContact O-N 2.8Å; F12-D14 PolarHBondContact O-N 2.82Å
13Q52.3Low62.8Low184 Ų184123.8 Ų123.886%0.8666%0.662SS**  trans-56.8110.7164.8-90.4-175.5-22.700105.9P11 N15P11-Q13 PolarHBondContact O-N 2.91Å; Q13-N15 VanDerWaalsContact C-N 3.33Å; Q13-N15 PolarHBondContact O-N 2.98Å
14D59.6Low65.7Low139 Ų139120.6 Ų120.674%0.74364%0.638SS**  trans-5199.4176.8-131-13.5000107.6F12 K16F12-D14 PolarHBondContact O-N 2.82Å; D14-K16 VanDerWaalsContact C-N 3.28Å; D14-K16 PolarHBondContact O-N 3.26Å
15N81.1Confident68.3Low103 Ų103113.5 Ų113.555%0.55161%0.608SS**  trans-70.894.5-176.3-178.4-8.4000106.3Q13 A17 A18 Y19Q13-N15 VanDerWaalsContact C-N 3.33Å; Q13-N15 PolarHBondContact O-N 2.98Å; N15-A17 PolarHBondContact O-N 2.98Å; N15-A17 WeakPolarHBondContact OD1-CB 3.44Å; N15-A17 PolarHBondContact OD1-N 3.28Å; N15-A18 HydrophobicContact CB-CB 3.92Å; N15-A18 WeakPolarHBondContact O-CA 3.23Å; N15-A18 WeakPolarHBondContact O-CB 3.48Å; N15-A18 PolarHBondContact O-N 3.49Å; N15-Y19 PolarHBondContact O-N 3.01Å
16K86.4Confident70.6Confident176 Ų176114.4 Ų114.477%0.76560%0.6SS**Hα-helixtrans-49.9-34.2-176.9-66.1-178.3-179.4178.10111.8D14 Y19 V20D14-K16 VanDerWaalsContact C-N 3.28Å; D14-K16 PolarHBondContact O-N 3.26Å; K16-Y19 PolarHBondContact O-N 2.85Å; K16-V20 WeakPolarHBondContact O-CB 3.37Å; K16-V20 VanDerWaalsContact O-CG2 3.23Å; K16-V20 WeakPolarHBondContact O-CG2 3.41Å; K16-V20 PolarHBondContact O-N 3.47Å
17A84.2Confident73.2Confident55 Ų55110.7 Ų110.746%0.45558%0.583SS.*Hα-helixtrans-67.1-44.5175.300000112.3N15 Y19 V20 L21N15-A17 PolarHBondContact O-N 2.98Å; N15-A17 WeakPolarHBondContact OD1-CB 3.44Å; N15-A17 PolarHBondContact OD1-N 3.28Å; A17-Y19 VanDerWaalsContact C-N 3.33Å; A17-Y19 PolarHBondContact O-N 2.82Å; A17-V20 PolarHBondContact O-N 2.79Å; A17-L21 WeakPolarHBondContact O-CB 3.48Å; A17-L21 VanDerWaalsContact O-CG 3.28Å; A17-L21 WeakPolarHBondContact O-CG 3.44Å; A17-L21 PolarHBondContact O-N 2.91Å
18A85.4Confident75.6Confident47 Ų47103.4 Ų103.439%0.38854%0.544SS..Hα-helixtrans-63.1-39.6175.700000111.8N15 S22N15-A18 HydrophobicContact CB-CB 3.92Å; N15-A18 WeakPolarHBondContact O-CA 3.23Å; N15-A18 WeakPolarHBondContact O-CB 3.48Å; N15-A18 PolarHBondContact O-N 3.49Å; A18-S22 VanDerWaalsContact O-CB 3.28Å; A18-S22 WeakPolarHBondContact O-CB 3.28Å; A18-S22 PolarHBondContact O-N 2.9Å; A18-S22 VanDerWaalsContact O-N 3.09Å; A18-S22 PolarHBondContact O-OG 3.11Å
19Y88.4Confident78.4Confident142 Ų14297.5 Ų97.556%0.55752%0.519SS*.Hα-helixtrans-61.3-49174.1-179-92000111.5N15 K16 A17 S22 N23N15-Y19 PolarHBondContact O-N 3.01Å; K16-Y19 PolarHBondContact O-N 2.85Å; A17-Y19 VanDerWaalsContact C-N 3.33Å; A17-Y19 PolarHBondContact O-N 2.82Å; Y19-S22 PolarHBondContact O-N 3.32Å; Y19-N23 HydrophobicContact CE1-CB 4.5Å; Y19-N23 WeakPolarHBondContact O-CB 3.4Å; Y19-N23 PolarHBondContact O-N 2.73Å; Y19-N23 VanDerWaalsContact O-N 3.11Å; Y19-N23 PolarHBondContact O-ND2 3.22Å
20V88.8Confident80.8Confident52 Ų52101 Ų10132%0.31552%0.515SS..Hα-helixtrans-61.3-47.8178.8169.70000111.3K16 A17 S22 N23 V24 V27K16-V20 WeakPolarHBondContact O-CB 3.37Å; K16-V20 VanDerWaalsContact O-CG2 3.23Å; K16-V20 WeakPolarHBondContact O-CG2 3.41Å; K16-V20 PolarHBondContact O-N 3.47Å; A17-V20 PolarHBondContact O-N 2.79Å; V20-S22 PolarHBondContact O-N 3.26Å; V20-N23 PolarHBondContact O-N 3.18Å; V20-V24 HydrophobicContact CG1-CB 4.19Å; V20-V24 HydrophobicContact CG1-CG2 4.15Å; V20-V24 WeakPolarHBondContact O-CB 3.28Å; V20-V24 PolarHBondContact O-N 3.09Å; V20-V27 HydrophobicContact CG1-CB 4.03Å; V20-V27 HydrophobicContact CG1-CG1 3.79Å; V20-V27 HydrophobicContact CG1-CG2 4.07Å
21L89.2Confident83.3Confident59 Ų5996.2 Ų96.231%0.30950%0.497SS..Hα-helixtrans-66.9-15.7179.5-68.7174.6000113.9A17 V28 W50A17-L21 WeakPolarHBondContact O-CB 3.48Å; A17-L21 VanDerWaalsContact O-CG 3.28Å; A17-L21 WeakPolarHBondContact O-CG 3.44Å; A17-L21 PolarHBondContact O-N 2.91Å; L21-V28 HydrophobicContact CD2-CG2 4.47Å; L21-V28 WeakPolarHBondContact O-CG2 3.45Å; L21-W50 HydrophobicContact CB-CZ2 4.45Å; L21-W50 HydrophobicContact CD2-CZ2 4.37Å; L21-W50 PolarHBondContact O-NE1 3.14Å
22S88.8Confident85.6Confident74 Ų7490.7 Ų90.752%0.51746%0.461SS..Hα-helixtrans-98-18.4178.4-57.40000113.6A18 Y19 V20 L49A18-S22 VanDerWaalsContact O-CB 3.28Å; A18-S22 WeakPolarHBondContact O-CB 3.28Å; A18-S22 PolarHBondContact O-N 2.9Å; A18-S22 VanDerWaalsContact O-N 3.09Å; A18-S22 PolarHBondContact O-OG 3.11Å; Y19-S22 PolarHBondContact O-N 3.32Å; V20-S22 PolarHBondContact O-N 3.26Å; S22-L49 VanDerWaalsContact C-CD2 3.46Å; S22-L49 VanDerWaalsContact O-CD2 3.28Å; S22-L49 WeakPolarHBondContact O-CD2 3.41Å
23N91.8Very high87.6Confident96 Ų9684.4 Ų84.451%0.51344%0.436SS..Hα-helixtrans-126.7-24.2-170.1-65.7-77.8000114.9Y19 V20Y19-N23 HydrophobicContact CE1-CB 4.5Å; Y19-N23 WeakPolarHBondContact O-CB 3.4Å; Y19-N23 PolarHBondContact O-N 2.73Å; Y19-N23 VanDerWaalsContact O-N 3.11Å; Y19-N23 PolarHBondContact O-ND2 3.22Å; V20-N23 PolarHBondContact O-N 3.18Å
24V94.9Very high89.5Confident47 Ų4783.7 Ų83.729%0.28543%0.43SS..  trans-105.798.6-172.1-170.70000110.6V20 E26 V27 V28V20-V24 HydrophobicContact CG1-CB 4.19Å; V20-V24 HydrophobicContact CG1-CG2 4.15Å; V20-V24 WeakPolarHBondContact O-CB 3.28Å; V20-V24 PolarHBondContact O-N 3.09Å; V24-E26 VanDerWaalsContact C-N 3.33Å; V24-E26 PolarHBondContact O-N 3.38Å; V24-V27 HydrophobicContact CB-CB 4.26Å; V24-V27 HydrophobicContact CB-CG2 4.18Å; V24-V27 HydrophobicContact CG1-CB 4.07Å; V24-V27 HydrophobicContact CG1-CG2 3.61Å; V24-V27 PolarHBondContact O-N 3.15Å; V24-V28 WeakPolarHBondContact O-CG2 3.35Å; V24-V28 PolarHBondContact O-N 3.33Å; V24-V28 VanDerWaalsContact O-N 3.15Å
25A94.8Very high91.1Very high21 Ų2178.8 Ų78.817%0.17440%0.403CS..Hα-helixtrans-60.5-40.7-175.100000112.9V27 V28 E29 L49A25-V27 VanDerWaalsContact C-N 3.32Å; A25-V27 PolarHBondContact O-N 3.02Å; A25-V28 PolarHBondContact O-N 2.82Å; A25-E29 WeakPolarHBondContact O-CB 3.48Å; A25-E29 WeakPolarHBondContact O-CG 3.42Å; A25-E29 PolarHBondContact O-N 3.06Å; A25-L49 HydrophobicContact CB-CD1 3.77Å
26E95Very high91.6Very high134 Ų13475.3 Ų75.363%0.62639%0.386SS*.Hα-helixtrans-62.8-41-177.8-63.578.4-175.300111.1V24 R30V24-E26 VanDerWaalsContact C-N 3.33Å; V24-E26 PolarHBondContact O-N 3.38Å; E26-R30 WeakPolarHBondContact O-CB 3.17Å; E26-R30 WeakPolarHBondContact O-CG 3.46Å; E26-R30 PolarHBondContact O-N 3.25Å
27V94.4Very high91.9Very high59 Ų5967.2 Ų67.236%0.35835%0.352SS..Hα-helixtrans-67.9-46176.7175.70000110V20 V24 A25 E29 R30 V31V20-V27 HydrophobicContact CG1-CB 4.03Å; V20-V27 HydrophobicContact CG1-CG1 3.79Å; V20-V27 HydrophobicContact CG1-CG2 4.07Å; V24-V27 HydrophobicContact CB-CB 4.26Å; V24-V27 HydrophobicContact CB-CG2 4.18Å; V24-V27 HydrophobicContact CG1-CB 4.07Å; V24-V27 HydrophobicContact CG1-CG2 3.61Å; V24-V27 PolarHBondContact O-N 3.15Å; A25-V27 VanDerWaalsContact C-N 3.32Å; A25-V27 PolarHBondContact O-N 3.02Å; V27-E29 PolarHBondContact O-N 3.28Å; V27-R30 PolarHBondContact O-N 3.47Å; V27-V31 WeakPolarHBondContact O-CG2 3.38Å; V27-V31 PolarHBondContact O-N 3.42Å
28V95.1Very high92.2Very high0 Ų067.8 Ų67.80%034%0.344CS..Hα-helixtrans-58.8-48.7177.5174.80000110.5L21 V24 A25 R30 V31 L32 L49 W50 C53L21-V28 HydrophobicContact CD2-CG2 4.47Å; L21-V28 WeakPolarHBondContact O-CG2 3.45Å; V24-V28 WeakPolarHBondContact O-CG2 3.35Å; V24-V28 PolarHBondContact O-N 3.33Å; V24-V28 VanDerWaalsContact O-N 3.15Å; A25-V28 PolarHBondContact O-N 2.82Å; V28-R30 VanDerWaalsContact C-N 3.35Å; V28-R30 PolarHBondContact O-N 2.94Å; V28-V31 PolarHBondContact O-N 2.62Å; V28-L32 HydrophobicContact CG1-CD1 3.91Å; V28-L32 HydrophobicContact CG1-CG 4.13Å; V28-L32 WeakPolarHBondContact O-CB 3.28Å; V28-L32 VanDerWaalsContact O-CG 3.25Å; V28-L32 WeakPolarHBondContact O-CG 3.28Å; V28-L32 PolarHBondContact O-N 2.64Å; V28-L49 HydrophobicContact CG2-CD2 4.05Å; V28-W50 HydrophobicContact CG1-CD2 3.97Å; V28-W50 HydrophobicContact CG1-CE3 4.33Å; V28-W50 HydrophobicContact CG1-CG 4.09Å; V28-C53 HydrophobicContact CG1-CB 3.84Å
29E94.9Very high92.5Very high55 Ų5567.5 Ų67.526%0.25734%0.339SS..Hα-helixtrans-57.2-46.1177.1-78177-152.900112.8A25 V27 V31 L32 M33 C53 R56 V57A25-E29 WeakPolarHBondContact O-CB 3.48Å; A25-E29 WeakPolarHBondContact O-CG 3.42Å; A25-E29 PolarHBondContact O-N 3.06Å; V27-E29 PolarHBondContact O-N 3.28Å; E29-V31 VanDerWaalsContact C-N 3.29Å; E29-V31 PolarHBondContact O-N 3.47Å; E29-L32 PolarHBondContact O-N 3.43Å; E29-L32 VanDerWaalsContact O-N 3.13Å; E29-M33 WeakPolarHBondContact O-CG 3.2Å; E29-M33 PolarHBondContact O-N 3.39Å; E29-C53 HydrophobicContact CG-CB 3.55Å; E29-R56 IonicContact OE1-CZ 3.52Å; E29-R56 IonicContact OE1-NE 2.64Å; E29-R56 PolarHBondContact OE1-NE 2.7Å; E29-R56 IonicContact OE1-NH2 2.62Å; E29-R56 PolarHBondContact OE1-NH2 2.92Å; E29-V57 HydrophobicContact CB-CG2 4.49Å
30R94.4Very high92.7Very high192 Ų19260.8 Ų60.873%0.72531%0.313SS*.Hα-helixtrans-60.9-38.5178.3-71.5-69.5-176.5134.22112.2E26 V27 V28 F34E26-R30 WeakPolarHBondContact O-CB 3.17Å; E26-R30 WeakPolarHBondContact O-CG 3.46Å; E26-R30 PolarHBondContact O-N 3.25Å; V27-R30 PolarHBondContact O-N 3.47Å; V28-R30 VanDerWaalsContact C-N 3.35Å; V28-R30 PolarHBondContact O-N 2.94Å; R30-F34 WeakPolarHBondContact O-CD2 3.49Å; R30-F34 VanDerWaalsContact O-CE2 3.28Å; R30-F34 WeakPolarHBondContact O-CE2 3.25Å
31V93.8Very high92.7Very high64 Ų6462.2 Ų62.239%0.38832%0.318SS..Hα-helixtrans-65.7-46.1173.5172.10000110.6V27 V28 E29 M33 F34V27-V31 WeakPolarHBondContact O-CG2 3.38Å; V27-V31 PolarHBondContact O-N 3.42Å; V28-V31 PolarHBondContact O-N 2.62Å; E29-V31 VanDerWaalsContact C-N 3.29Å; E29-V31 PolarHBondContact O-N 3.47Å; V31-M33 PolarHBondContact O-N 3.13Å; V31-F34 PolarHBondContact O-N 3.37Å; V31-F34 VanDerWaalsContact O-N 3.14Å
32L94.5Very high92.9Very high0 Ų067 Ų670%033%0.332CS..Hα-helixtrans-64.9-24.9-178.3-68-173000113.5V28 E29 F34 I35 L40 V43 W50 C53 A54 V57V28-L32 HydrophobicContact CG1-CD1 3.91Å; V28-L32 HydrophobicContact CG1-CG 4.13Å; V28-L32 WeakPolarHBondContact O-CB 3.28Å; V28-L32 VanDerWaalsContact O-CG 3.25Å; V28-L32 WeakPolarHBondContact O-CG 3.28Å; V28-L32 PolarHBondContact O-N 2.64Å; E29-L32 PolarHBondContact O-N 3.43Å; E29-L32 VanDerWaalsContact O-N 3.13Å; L32-F34 PolarHBondContact O-N 3.18Å; L32-F34 VanDerWaalsContact O-N 3.14Å; L32-I35 HydrophobicContact CD2-CD1 3.59Å; L32-I35 HydrophobicContact CD2-CG1 4.5Å; L32-I35 PolarHBondContact O-N 3.13Å; L32-L40 HydrophobicContact CB-CD1 3.86Å; L32-L40 HydrophobicContact CD1-CD1 3.96Å; L32-L40 HydrophobicContact CD2-CD1 3.91Å; L32-L40 HydrophobicContact CG-CD1 4.11Å; L32-V43 HydrophobicContact CD2-CG1 3.67Å; L32-W50 HydrophobicContact CD1-CE3 4.43Å; L32-W50 HydrophobicContact CD2-CE3 3.76Å; L32-W50 HydrophobicContact CD2-CZ3 3.66Å; L32-W50 HydrophobicContact CG-CE3 4.48Å; L32-C53 HydrophobicContact CD1-CB 3.71Å; L32-A54 HydrophobicContact CD1-CB 4Å; L32-V57 HydrophobicContact CB-CG2 3.93Å
33M92.5Very high93Very high74 Ų7464.9 Ų64.937%0.36532%0.316SS..THydrogen-bonded Turntrans-60.7-17.8173.7-73-63.5-62.200113.7E29 V31 V57 Q61E29-M33 WeakPolarHBondContact O-CG 3.2Å; E29-M33 PolarHBondContact O-N 3.39Å; V31-M33 PolarHBondContact O-N 3.13Å; M33-V57 HydrophobicContact CG-CG2 4.21Å; M33-V57 HydrophobicContact SD-CB 4.19Å; M33-V57 HydrophobicContact SD-CG1 3.69Å; M33-V57 HydrophobicContact SD-CG2 3.85Å; M33-Q61 HydrophobicContact CE-CG 3.91Å; M33-Q61 PolarHBondContact O-NE2 2.89Å; M33-Q61 HydrophobicContact SD-CG 4.16Å
34F92.3Very high93.1Very high168 Ų16861.1 Ų61.174%0.73730%0.298SS*.THydrogen-bonded Turntrans-97.33.8176.9-60.8-78.1000113.3R30 V31 L32R30-F34 WeakPolarHBondContact O-CD2 3.49Å; R30-F34 VanDerWaalsContact O-CE2 3.28Å; R30-F34 WeakPolarHBondContact O-CE2 3.25Å; V31-F34 PolarHBondContact O-N 3.37Å; V31-F34 VanDerWaalsContact O-N 3.14Å; L32-F34 PolarHBondContact O-N 3.18Å; L32-F34 VanDerWaalsContact O-N 3.14Å
35I92.3Very high93Very high37 Ų3763.1 Ų63.119%0.1932%0.315CS..SBendtrans-102.4128.4-176.5-56.5-170.6000110.3L32 L40 F92L32-I35 HydrophobicContact CD2-CD1 3.59Å; L32-I35 HydrophobicContact CD2-CG1 4.5Å; L32-I35 PolarHBondContact O-N 3.13Å; I35-L40 HydrophobicContact CG2-CB 4.41Å; I35-F92 VanDerWaalsContact C-CE1 3.43Å; I35-F92 WeakPolarHBondContact O-CE1 3.3Å
36P92.3Very high92.9Very high29 Ų2966.8 Ų66.819%0.18833%0.334CS..  trans-59.7156.3174.6-2534000113.3K38 S39 L40 E89 F92P36-K38 VanDerWaalsContact C-N 3.34Å; P36-K38 PolarHBondContact O-N 3.39Å; P36-S39 PolarHBondContact O-N 2.96Å; P36-S39 VanDerWaalsContact O-N 3.12Å; P36-L40 WeakPolarHBondContact O-CB 3.33Å; P36-L40 PolarHBondContact O-N 3.16Å; P36-E89 WeakPolarHBondContact CB-O 3.14Å; P36-E89 WeakPolarHBondContact CG-O 3.23Å; P36-F92 HydrophobicContact CG-CE2 4.38Å; P36-F92 HydrophobicContact CG-CZ 4.09Å
37T91.9Very high92.7Very high7 Ų762.7 Ų62.74%0.04332%0.32CS..Hα-helixtrans-55.4-45-171.6-58.20000113S39 L40 L41 L58 V91 F92 L93 L94T37-S39 VanDerWaalsContact C-N 3.35Å; T37-S39 PolarHBondContact O-N 2.95Å; T37-L40 WeakPolarHBondContact O-CB 3.48Å; T37-L40 PolarHBondContact O-N 3.4Å; T37-L41 WeakPolarHBondContact O-CG 3.34Å; T37-L41 PolarHBondContact O-N 3.42Å; T37-L58 HydrophobicContact CG2-CD2 3.66Å; T37-V91 WeakPolarHBondContact CB-O 3.17Å; T37-V91 PolarHBondContact N-O 3.43Å; T37-V91 PolarHBondContact OG1-O 3.43Å; T37-F92 VanDerWaalsContact OG1-C 3.28Å; T37-F92 WeakPolarHBondContact OG1-CA 3.16Å; T37-L93 WeakPolarHBondContact CB-O 3.44Å; T37-L93 WeakPolarHBondContact CG2-O 3.46Å; T37-L93 VanDerWaalsContact OG1-C 3.26Å; T37-L93 PolarHBondContact OG1-N 3.14Å; T37-L93 PolarHBondContact OG1-O 3.15Å; T37-L93 VanDerWaalsContact OG1-O 3.06Å; T37-L94 HydrophobicContact CG2-CB 4Å; T37-L94 HydrophobicContact CG2-CD1 4.04Å
38K89.8Confident92.8Very high67 Ų6769.2 Ų69.229%0.29134%0.338SS..Hα-helixtrans-63.2-42.9-178-159-177.2-163.1162.80111.6P36 L41 R42 E89P36-K38 VanDerWaalsContact C-N 3.34Å; P36-K38 PolarHBondContact O-N 3.39Å; K38-L41 PolarHBondContact O-N 3.03Å; K38-R42 PolarHBondContact O-N 3.12Å; K38-E89 VanDerWaalsContact CD-CD 3.44Å; K38-E89 WeakPolarHBondContact CD-OE1 3.43Å; K38-E89 WeakPolarHBondContact CD-OE2 3.41Å; K38-E89 WeakPolarHBondContact CE-OE1 3.5Å; K38-E89 IonicContact NZ-OE1 3.93Å; K38-E89 PolarHBondContact NZ-OE1 3.29Å
39S91.9Very high92.8Very high41 Ų4171 Ų7129%0.28735%0.348SS..Hα-helixtrans-66.6-38.9174.3-69.30000111.6P36 T37 L41 R42 V43P36-S39 PolarHBondContact O-N 2.96Å; P36-S39 VanDerWaalsContact O-N 3.12Å; T37-S39 VanDerWaalsContact C-N 3.35Å; T37-S39 PolarHBondContact O-N 2.95Å; S39-L41 VanDerWaalsContact C-N 3.32Å; S39-L41 PolarHBondContact O-N 3.12Å; S39-R42 WeakPolarHBondContact O-CB 3.41Å; S39-R42 PolarHBondContact O-N 2.81Å; S39-R42 VanDerWaalsContact O-N 3.12Å; S39-V43 WeakPolarHBondContact O-CB 3.37Å; S39-V43 VanDerWaalsContact O-CG2 3.24Å; S39-V43 WeakPolarHBondContact O-CG2 3.46Å; S39-V43 PolarHBondContact O-N 3.27Å
40L92.3Very high92.8Very high0 Ų070.6 Ų70.60%034%0.344CS..Hα-helixtrans-62.4-38.2177.4-167.958.8000112.4L32 I35 P36 T37 V43 A44 A54 V57 L58L32-L40 HydrophobicContact CB-CD1 3.86Å; L32-L40 HydrophobicContact CD1-CD1 3.96Å; L32-L40 HydrophobicContact CD2-CD1 3.91Å; L32-L40 HydrophobicContact CG-CD1 4.11Å; I35-L40 HydrophobicContact CG2-CB 4.41Å; P36-L40 WeakPolarHBondContact O-CB 3.33Å; P36-L40 PolarHBondContact O-N 3.16Å; T37-L40 WeakPolarHBondContact O-CB 3.48Å; T37-L40 PolarHBondContact O-N 3.4Å; L40-V43 PolarHBondContact O-N 3.4Å; L40-A44 PolarHBondContact O-N 2.92Å; L40-A54 HydrophobicContact CD1-CB 3.6Å; L40-A54 HydrophobicContact CG-CB 3.91Å; L40-V57 HydrophobicContact CD2-CB 3.96Å; L40-V57 HydrophobicContact CD2-CG1 3.53Å; L40-L58 HydrophobicContact CD2-CD2 3.71Å; L40-L58 HydrophobicContact CD2-CG 3.6Å; L40-L58 HydrophobicContact CG-CD2 4.35Å; L40-L58 HydrophobicContact CG-CG 4.17Å
41L90.5Very high92.9Very high83 Ų8366.3 Ų66.344%0.43533%0.328SS..Hα-helixtrans-63.3-38.8173.5-69.9172.8000112.3T37 K38 S39 L58 L94T37-L41 WeakPolarHBondContact O-CG 3.34Å; T37-L41 PolarHBondContact O-N 3.42Å; K38-L41 PolarHBondContact O-N 3.03Å; S39-L41 VanDerWaalsContact C-N 3.32Å; S39-L41 PolarHBondContact O-N 3.12Å; L41-L58 HydrophobicContact CD2-CD1 3.9Å; L41-L94 HydrophobicContact CD1-CD1 4.29Å
42R91.8Very high93Very high160 Ų16066 Ų6660%0.60432%0.324SS*.Hα-helixtrans-66.7-45.8174.4-65.8176.5179.8170.21.6110.8K38 S39 A44 S45K38-R42 PolarHBondContact O-N 3.12Å; S39-R42 WeakPolarHBondContact O-CB 3.41Å; S39-R42 PolarHBondContact O-N 2.81Å; S39-R42 VanDerWaalsContact O-N 3.12Å; R42-A44 PolarHBondContact O-N 3.37Å; R42-S45 WeakPolarHBondContact O-CB 3.27Å; R42-S45 PolarHBondContact O-N 2.91Å; R42-S45 PolarHBondContact O-OG 3.18Å
43V92.4Very high93Very high28 Ų2866 Ų6617%0.1732%0.324CS..Hα-helixtrans-62.8-28.8-179.5167.20000112.6L32 S39 L40 S45 V46 W50L32-V43 HydrophobicContact CD2-CG1 3.67Å; S39-V43 WeakPolarHBondContact O-CB 3.37Å; S39-V43 VanDerWaalsContact O-CG2 3.24Å; S39-V43 WeakPolarHBondContact O-CG2 3.46Å; S39-V43 PolarHBondContact O-N 3.27Å; L40-V43 PolarHBondContact O-N 3.4Å; V43-S45 PolarHBondContact O-N 2.77Å; V43-V46 WeakPolarHBondContact O-CB 3.48Å; V43-V46 WeakPolarHBondContact O-CG2 3.36Å; V43-V46 PolarHBondContact O-N 3.44Å; V43-V46 VanDerWaalsContact O-N 3.12Å; V43-W50 HydrophobicContact CG1-CD2 4.27Å; V43-W50 HydrophobicContact CG1-CE3 3.09Å; V43-W50 HydrophobicContact CG1-CZ3 3.42Å; V43-W50 VanDerWaalsContact CG1-CZ3 3.42Å
44A92.4Very high93.1Very high17 Ų1762.5 Ų62.514%0.1431%0.306CS..THydrogen-bonded Turntrans-62.9-10.117400000114.5L40 R42 R51 A54L40-A44 PolarHBondContact O-N 2.92Å; R42-A44 PolarHBondContact O-N 3.37Å; A44-R51 HydrophobicContact CB-CG 4.43Å; A44-R51 VanDerWaalsContact O-CB 3.23Å; A44-R51 WeakPolarHBondContact O-CB 3.47Å; A44-R51 WeakPolarHBondContact O-CG 3.39Å; A44-R51 PolarHBondContact O-NE 2.76Å; A44-A54 HydrophobicContact CB-CB 3.93Å
45S93.1Very high93.1Very high90 Ų9061 Ų6163%0.62930%0.296SS*.THydrogen-bonded Turntrans-86.8-15.3175.670.80000114.4R42 V43R42-S45 WeakPolarHBondContact O-CB 3.27Å; R42-S45 PolarHBondContact O-N 2.91Å; R42-S45 PolarHBondContact O-OG 3.18Å; V43-S45 PolarHBondContact O-N 2.77Å
46V92.3Very high93.1Very high97 Ų9764.1 Ų64.159%0.58831%0.305SS*.SBendtrans-63.7-59.7-171175.30000112.8V43 W50V43-V46 WeakPolarHBondContact O-CB 3.48Å; V43-V46 WeakPolarHBondContact O-CG2 3.36Å; V43-V46 PolarHBondContact O-N 3.44Å; V43-V46 VanDerWaalsContact O-N 3.12Å; V46-W50 HydrophobicContact CB-CB 4.4Å
47C92.6Very high93.1Very high49 Ų4962.9 Ų62.933%0.33130%0.297SS..  trans-154.9174.6177.379.10000111.2L49 W50 R51C47-L49 VanDerWaalsContact C-N 3.35Å; C47-L49 PolarHBondContact O-N 3.42Å; C47-W50 PolarHBondContact O-N 3.05Å; C47-R51 WeakPolarHBondContact O-CB 3.36Å; C47-R51 PolarHBondContact O-N 3.14Å
48R94.7Very high93Very high196 Ų19663.6 Ų63.674%0.7430%0.301SS*.Hα-helixtrans-60.5-40.5-178.3-179.2177.3167.2173.2-3112.9N52R48-N52 VanDerWaalsContact O-CG 3.3Å; R48-N52 PolarHBondContact O-N 3.27Å; R48-N52 VanDerWaalsContact O-N 3.12Å; R48-N52 PolarHBondContact O-ND2 3.09Å
49L95.5Very high92.8Very high37 Ų3769.8 Ų69.819%0.19432%0.322CS..Hα-helixtrans-61.3-54.9178.7177.963000110.5S22 A25 V28 C47 R51 N52 C53S22-L49 VanDerWaalsContact C-CD2 3.46Å; S22-L49 VanDerWaalsContact O-CD2 3.28Å; S22-L49 WeakPolarHBondContact O-CD2 3.41Å; A25-L49 HydrophobicContact CB-CD1 3.77Å; V28-L49 HydrophobicContact CG2-CD2 4.05Å; C47-L49 VanDerWaalsContact C-N 3.35Å; C47-L49 PolarHBondContact O-N 3.42Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.42Å; L49-N52 PolarHBondContact O-N 3.04Å; L49-N52 VanDerWaalsContact O-N 3.15Å; L49-C53 PolarHBondContact O-N 3.35Å; L49-C53 PolarHBondContact O-SG 3.27Å
50W95.8Very high92.5Very high46 Ų4672 Ų7217%0.17433%0.334CS..Hα-helixtrans-62.3-38.9-179.1-77.263.7000112.3L21 V28 L32 V43 V46 C47 N52 C53 A54L21-W50 HydrophobicContact CB-CZ2 4.45Å; L21-W50 HydrophobicContact CD2-CZ2 4.37Å; L21-W50 PolarHBondContact O-NE1 3.14Å; V28-W50 HydrophobicContact CG1-CD2 3.97Å; V28-W50 HydrophobicContact CG1-CE3 4.33Å; V28-W50 HydrophobicContact CG1-CG 4.09Å; L32-W50 HydrophobicContact CD1-CE3 4.43Å; L32-W50 HydrophobicContact CD2-CE3 3.76Å; L32-W50 HydrophobicContact CD2-CZ3 3.66Å; L32-W50 HydrophobicContact CG-CE3 4.48Å; V43-W50 HydrophobicContact CG1-CD2 4.27Å; V43-W50 HydrophobicContact CG1-CE3 3.09Å; V43-W50 HydrophobicContact CG1-CZ3 3.42Å; V43-W50 VanDerWaalsContact CG1-CZ3 3.42Å; V46-W50 HydrophobicContact CB-CB 4.4Å; C47-W50 PolarHBondContact O-N 3.05Å; W50-N52 VanDerWaalsContact C-N 3.35Å; W50-N52 PolarHBondContact O-N 2.86Å; W50-C53 PolarHBondContact O-N 2.98Å; W50-A54 WeakPolarHBondContact O-CB 3.27Å; W50-A54 PolarHBondContact O-N 3.32Å
51R95.7Very high91.9Very high103 Ų10372.7 Ų72.739%0.38934%0.337SS..Hα-helixtrans-57.8-45.6173.1-171.9-178.3-60.21532.7112.7A44 C47 L49 R55A44-R51 HydrophobicContact CB-CG 4.43Å; A44-R51 VanDerWaalsContact O-CB 3.23Å; A44-R51 WeakPolarHBondContact O-CB 3.47Å; A44-R51 WeakPolarHBondContact O-CG 3.39Å; A44-R51 PolarHBondContact O-NE 2.76Å; C47-R51 WeakPolarHBondContact O-CB 3.36Å; C47-R51 PolarHBondContact O-N 3.14Å; L49-R51 VanDerWaalsContact C-N 3.34Å; L49-R51 PolarHBondContact O-N 3.42Å; R51-R55 WeakPolarHBondContact O-CB 3.36Å; R51-R55 VanDerWaalsContact O-CG 3.27Å; R51-R55 WeakPolarHBondContact O-CG 3.38Å; R51-R55 PolarHBondContact O-N 3.12Å; R51-R55 VanDerWaalsContact O-N 3.1Å
52N95.7Very high91.5Very high57 Ų5770.9 Ų70.931%0.30533%0.326SS..Hα-helixtrans-70.7-42.5-178.6-71.4-17.6000111.5R48 L49 W50 R55 R56R48-N52 VanDerWaalsContact O-CG 3.3Å; R48-N52 PolarHBondContact O-N 3.27Å; R48-N52 VanDerWaalsContact O-N 3.12Å; R48-N52 PolarHBondContact O-ND2 3.09Å; L49-N52 PolarHBondContact O-N 3.04Å; L49-N52 VanDerWaalsContact O-N 3.15Å; W50-N52 VanDerWaalsContact C-N 3.35Å; W50-N52 PolarHBondContact O-N 2.86Å; N52-R55 PolarHBondContact O-N 3.35Å; N52-R56 PolarHBondContact O-N 3.1Å; N52-R56 VanDerWaalsContact O-N 3.13Å
53C95.9Very high90.9Very high0 Ų068 Ų680%032%0.32CS..Hα-helixtrans-62.5-48.2175.8-61.40000110.9V28 E29 L32 L49 W50 R55 R56 V57V28-C53 HydrophobicContact CG1-CB 3.84Å; E29-C53 HydrophobicContact CG-CB 3.55Å; L32-C53 HydrophobicContact CD1-CB 3.71Å; L49-C53 PolarHBondContact O-N 3.35Å; L49-C53 PolarHBondContact O-SG 3.27Å; W50-C53 PolarHBondContact O-N 2.98Å; C53-R55 VanDerWaalsContact C-N 3.33Å; C53-R55 PolarHBondContact O-N 3.07Å; C53-R56 PolarHBondContact O-N 2.87Å; C53-R56 PolarHBondContact SG-NH2 3.12Å; C53-V57 WeakPolarHBondContact O-CG2 3.37Å; C53-V57 PolarHBondContact O-N 2.86Å
54A94.6Very high90.7Very high0 Ų067 Ų670%031%0.313CS..Hα-helixtrans-57.7-43.5177.500000112.2L32 L40 A44 W50 R56 V57 L58L32-A54 HydrophobicContact CD1-CB 4Å; L40-A54 HydrophobicContact CD1-CB 3.6Å; L40-A54 HydrophobicContact CG-CB 3.91Å; A44-A54 HydrophobicContact CB-CB 3.93Å; W50-A54 WeakPolarHBondContact O-CB 3.27Å; W50-A54 PolarHBondContact O-N 3.32Å; A54-R56 VanDerWaalsContact C-N 3.32Å; A54-R56 PolarHBondContact O-N 3.28Å; A54-V57 PolarHBondContact O-N 3.23Å; A54-L58 WeakPolarHBondContact O-CB 3.24Å; A54-L58 VanDerWaalsContact O-CG 3.27Å; A54-L58 WeakPolarHBondContact O-CG 3.43Å; A54-L58 PolarHBondContact O-N 2.9Å
55R92.3Very high90.7Very high138 Ų13868 Ų6852%0.52132%0.318SS..Hα-helixtrans-63.5-34.7175.8-76.1173.5176.7-178.8-3.1113.1R51 N52 C53 R59R51-R55 WeakPolarHBondContact O-CB 3.36Å; R51-R55 VanDerWaalsContact O-CG 3.27Å; R51-R55 WeakPolarHBondContact O-CG 3.38Å; R51-R55 PolarHBondContact O-N 3.12Å; R51-R55 VanDerWaalsContact O-N 3.1Å; N52-R55 PolarHBondContact O-N 3.35Å; C53-R55 VanDerWaalsContact C-N 3.33Å; C53-R55 PolarHBondContact O-N 3.07Å; R55-R59 WeakPolarHBondContact O-CG 3.45Å; R55-R59 PolarHBondContact O-N 2.62Å
56R92.4Very high90.8Very high101 Ų10164.2 Ų64.238%0.38129%0.29SS..Hα-helixtrans-70.3-47175.2-74-172.1-69.2-1083.8111E29 N52 C53 A54 L58 R59 T60E29-R56 IonicContact OE1-CZ 3.52Å; E29-R56 IonicContact OE1-NE 2.64Å; E29-R56 PolarHBondContact OE1-NE 2.7Å; E29-R56 IonicContact OE1-NH2 2.62Å; E29-R56 PolarHBondContact OE1-NH2 2.92Å; N52-R56 PolarHBondContact O-N 3.1Å; N52-R56 VanDerWaalsContact O-N 3.13Å; C53-R56 PolarHBondContact O-N 2.87Å; C53-R56 PolarHBondContact SG-NH2 3.12Å; A54-R56 VanDerWaalsContact C-N 3.32Å; A54-R56 PolarHBondContact O-N 3.28Å; R56-L58 VanDerWaalsContact C-N 3.34Å; R56-L58 PolarHBondContact O-N 3.46Å; R56-R59 WeakPolarHBondContact O-CB 3.41Å; R56-R59 PolarHBondContact O-N 3.02Å; R56-R59 VanDerWaalsContact O-N 3.09Å; R56-T60 PolarHBondContact O-N 3.25Å; R56-T60 PolarHBondContact O-OG1 3.34Å
57V92.5Very high90.9Very high3 Ų359.7 Ų59.72%0.01826%0.263CS..Hα-helixtrans-57.3-46.6175.4170.90000111.3E29 L32 M33 L40 C53 A54 R59 T60 Q61E29-V57 HydrophobicContact CB-CG2 4.49Å; L32-V57 HydrophobicContact CB-CG2 3.93Å; M33-V57 HydrophobicContact CG-CG2 4.21Å; M33-V57 HydrophobicContact SD-CB 4.19Å; M33-V57 HydrophobicContact SD-CG1 3.69Å; M33-V57 HydrophobicContact SD-CG2 3.85Å; L40-V57 HydrophobicContact CD2-CB 3.96Å; L40-V57 HydrophobicContact CD2-CG1 3.53Å; C53-V57 WeakPolarHBondContact O-CG2 3.37Å; C53-V57 PolarHBondContact O-N 2.86Å; A54-V57 PolarHBondContact O-N 3.23Å; V57-R59 VanDerWaalsContact C-N 3.26Å; V57-R59 PolarHBondContact O-N 3.44Å; V57-T60 WeakPolarHBondContact CA-OG1 3.26Å; V57-T60 PolarHBondContact O-N 3.4Å; V57-T60 PolarHBondContact O-OG1 2.79Å; V57-Q61 VanDerWaalsContact CG1-CD 3.47Å; V57-Q61 HydrophobicContact CG1-CG 4Å; V57-Q61 WeakPolarHBondContact O-CB 3.45Å; V57-Q61 WeakPolarHBondContact O-CG 3.45Å; V57-Q61 PolarHBondContact O-N 3.1Å
58L89.3Confident91Very high22 Ų2258 Ų5812%0.11525%0.251CS..Hα-helixtrans-55.1-41.1175.8-77.2170.3000112T37 L40 L41 A54 R56 T60 Q62T37-L58 HydrophobicContact CG2-CD2 3.66Å; L40-L58 HydrophobicContact CD2-CD2 3.71Å; L40-L58 HydrophobicContact CD2-CG 3.6Å; L40-L58 HydrophobicContact CG-CD2 4.35Å; L40-L58 HydrophobicContact CG-CG 4.17Å; L41-L58 HydrophobicContact CD2-CD1 3.9Å; A54-L58 WeakPolarHBondContact O-CB 3.24Å; A54-L58 VanDerWaalsContact O-CG 3.27Å; A54-L58 WeakPolarHBondContact O-CG 3.43Å; A54-L58 PolarHBondContact O-N 2.9Å; R56-L58 VanDerWaalsContact C-N 3.34Å; R56-L58 PolarHBondContact O-N 3.46Å; L58-T60 VanDerWaalsContact C-N 3.31Å; L58-T60 PolarHBondContact O-N 3.17Å; L58-Q62 WeakPolarHBondContact O-CG 3.24Å; L58-Q62 PolarHBondContact O-NE2 2.94Å
59R85.8Confident90.9Very high197 Ų19749 Ų4974%0.74322%0.219SC*.Hα-helixtrans-68.9-30.3178.7-71.2171.2-177.7171.3-1.3113.1R55 R56 V57R55-R59 WeakPolarHBondContact O-CG 3.45Å; R55-R59 PolarHBondContact O-N 2.62Å; R56-R59 WeakPolarHBondContact O-CB 3.41Å; R56-R59 PolarHBondContact O-N 3.02Å; R56-R59 VanDerWaalsContact O-N 3.09Å; V57-R59 VanDerWaalsContact C-N 3.26Å; V57-R59 PolarHBondContact O-N 3.44Å
60T85.3Confident90.6Very high87 Ų8749.7 Ų49.753%0.53423%0.227SC..Hα-helixtrans-84-30.4179.453.40000112.9R56 V57 L58 Q62R56-T60 PolarHBondContact O-N 3.25Å; R56-T60 PolarHBondContact O-OG1 3.34Å; V57-T60 WeakPolarHBondContact CA-OG1 3.26Å; V57-T60 PolarHBondContact O-N 3.4Å; V57-T60 PolarHBondContact O-OG1 2.79Å; L58-T60 VanDerWaalsContact C-N 3.31Å; L58-T60 PolarHBondContact O-N 3.17Å; T60-Q62 PolarHBondContact O-N 3.44Å
61Q79.9Confident90Very high15 Ų1548.8 Ų48.87%0.0723%0.232CC..  trans-92.577.9-179.7-68-172.6-25.200109.9M33 V57 F92M33-Q61 HydrophobicContact CE-CG 3.91Å; M33-Q61 PolarHBondContact O-NE2 2.89Å; M33-Q61 HydrophobicContact SD-CG 4.16Å; V57-Q61 VanDerWaalsContact CG1-CD 3.47Å; V57-Q61 HydrophobicContact CG1-CG 4Å; V57-Q61 WeakPolarHBondContact O-CB 3.45Å; V57-Q61 WeakPolarHBondContact O-CG 3.45Å; V57-Q61 PolarHBondContact O-N 3.1Å; Q61-F92 CarbonylContact C-O 3.46Å; Q61-F92 WeakPolarHBondContact CB-O 3.48Å
62Q81.8Confident88.9Confident45 Ų4549.5 Ų49.521%0.2125%0.25CC..  trans-136.153.2179.6-61.9-64.5-53.600109.9L58 T60 P177L58-Q62 WeakPolarHBondContact O-CG 3.24Å; L58-Q62 PolarHBondContact O-NE2 2.94Å; T60-Q62 PolarHBondContact O-N 3.44Å; Q62-P177 HydrophobicContact CB-CB 4.01Å; Q62-P177 HydrophobicContact CB-CG 4.43Å; Q62-P177 VanDerWaalsContact OE1-CB 3.3Å
63H79.4Confident87.6Confident99 Ų9947.5 Ų47.546%0.45824%0.24SC..  trans-89.1136.5172.4-65.7-55.6000109.7T65H63-T65 PolarHBondContact O-N 3.39Å; H63-T65 PolarHBondContact O-OG1 3.14Å; H63-T65 VanDerWaalsContact O-OG1 3.14Å
64L87.4Confident86.1Confident8 Ų854.4 Ų54.44%0.04228%0.282CS..  trans-50.7136.5171.4-176.7148.1000109.3W66 W158 L176 L311 F387L64-W66 HydrophobicContact CD2-CE3 4Å; L64-W66 HydrophobicContact CD2-CZ3 4.18Å; L64-W158 HydrophobicContact CB-CH2 4.05Å; L64-W158 HydrophobicContact CB-CZ2 4.46Å; L64-W158 HydrophobicContact CD2-CH2 3.68Å; L64-W158 HydrophobicContact CD2-CZ2 4.3Å; L64-W158 HydrophobicContact CD2-CZ3 4.41Å; L64-W158 HydrophobicContact CG-CH2 4.46Å; L64-W158 WeakPolarHBondContact O-CZ2 3.38Å; L64-L176 HydrophobicContact CD1-CD2 3.48Å; L64-L176 VanDerWaalsContact CD1-CD2 3.48Å; L64-L176 HydrophobicContact CG-CD2 4.15Å; L64-L311 HydrophobicContact CD1-CD1 3.75Å; L64-L311 HydrophobicContact CD1-CD2 4.1Å; L64-L311 HydrophobicContact CD1-CG 3.74Å; L64-L311 HydrophobicContact CD2-CD1 4.25Å; L64-L311 HydrophobicContact CD2-CD2 3.51Å; L64-L311 HydrophobicContact CD2-CG 4.1Å; L64-L311 HydrophobicContact CG-CD2 4.46Å; L64-F387 HydrophobicContact CD1-CD2 3.94Å; L64-F387 HydrophobicContact CD1-CE2 4.11Å
65T92.2Very high84.7Confident39 Ų3957.8 Ų57.824%0.23930%0.303CS..EExtended strand (participates in β ladder)trans-143.7154.9-175.6-63.40000108.3H63 V91 M175H63-T65 PolarHBondContact O-N 3.39Å; H63-T65 PolarHBondContact O-OG1 3.14Å; H63-T65 VanDerWaalsContact O-OG1 3.14Å; T65-V91 HydrophobicContact CG2-CG1 4Å; T65-V91 HydrophobicContact CG2-CG2 4.04Å; T65-M175 PolarHBondContact N-O 2.93Å; T65-M175 WeakPolarHBondContact O-CA 3.05Å; T65-M175 WeakPolarHBondContact O-CB 3.28Å; T65-M175 PolarHBondContact O-N 3.46Å
66W95.4Very high83.4Confident10 Ų1059 Ų594%0.03832%0.315CS..EExtended strand (participates in β ladder)trans-140.2161.6173.862.897.7000110.6L64 T153 P154 W158 A173 V174 P344 F346L64-W66 HydrophobicContact CD2-CE3 4Å; L64-W66 HydrophobicContact CD2-CZ3 4.18Å; W66-T153 HydrophobicContact CZ2-CG2 4Å; W66-T153 PolarHBondContact NE1-O 3.02Å; W66-P154 PolarHBondContact NE1-O 3.23Å; W66-W158 HydrophobicContact CH2-CB 4.38Å; W66-W158 AromaticContact CH2-CD1 3.98Å; W66-W158 AromaticContact CH2-CD2 3.57Å; W66-W158 HydrophobicContact CH2-CD2 3.57Å; W66-W158 AromaticContact CH2-CE2 3.77Å; W66-W158 AromaticContact CH2-CE3 3.98Å; W66-W158 HydrophobicContact CH2-CE3 3.98Å; W66-W158 AromaticContact CH2-CG 3.76Å; W66-W158 HydrophobicContact CH2-CG 3.76Å; W66-W158 HydrophobicContact CH2-CZ2 4.38Å; W66-W158 HydrophobicContact CH2-CZ3 4.49Å; W66-W158 AromaticContact CH2-NE1 3.98Å; W66-W158 AromaticContact CZ3-CD2 3.74Å; W66-W158 HydrophobicContact CZ3-CD2 3.74Å; W66-W158 AromaticContact CZ3-CE2 3.54Å; W66-W158 HydrophobicContact CZ3-CE3 4Å; W66-W158 HydrophobicContact CZ3-CG 4.35Å; W66-W158 AromaticContact CZ3-CH2 3.93Å; W66-W158 HydrophobicContact CZ3-CH2 3.93Å; W66-W158 AromaticContact CZ3-CZ2 3.7Å; W66-W158 HydrophobicContact CZ3-CZ2 3.7Å; W66-W158 HydrophobicContact CZ3-CZ3 4.06Å; W66-A173 CarbonylContact C-O 3.54Å; W66-A173 WeakPolarHBondContact CA-O 3.41Å; W66-A173 WeakPolarHBondContact CB-O 3.38Å; W66-V174 HydrophobicContact CB-CG2 4.26Å; W66-P344 HydrophobicContact CE3-CG 4.5Å; W66-P344 HydrophobicContact CH2-CB 3.75Å; W66-P344 HydrophobicContact CH2-CG 3.8Å; W66-P344 HydrophobicContact CZ2-CB 3.94Å; W66-P344 HydrophobicContact CZ2-CG 4.47Å; W66-P344 HydrophobicContact CZ3-CB 4.17Å; W66-P344 HydrophobicContact CZ3-CG 3.82Å; W66-F346 HydrophobicContact CB-CE1 4.27Å; W66-F346 HydrophobicContact CB-CZ 3.94Å; W66-F346 AromaticContact CD1-CE1 3.59Å; W66-F346 AromaticContact CD1-CZ 3.47Å; W66-F346 VanDerWaalsContact CD1-CZ 3.47Å; W66-F346 HydrophobicContact CD2-CE1 4.37Å; W66-F346 HydrophobicContact CD2-CE2 4.22Å; W66-F346 AromaticContact CD2-CZ 3.48Å; W66-F346 HydrophobicContact CD2-CZ 3.48Å; W66-F346 VanDerWaalsContact CD2-CZ 3.48Å; W66-F346 AromaticContact CE2-CZ 3.68Å; W66-F346 HydrophobicContact CE3-CE2 4.41Å; W66-F346 HydrophobicContact CE3-CZ 4.1Å; W66-F346 AromaticContact CG-CE1 3.83Å; W66-F346 HydrophobicContact CG-CE1 3.83Å; W66-F346 HydrophobicContact CG-CE2 4.31Å; W66-F346 AromaticContact CG-CZ 3.35Å; W66-F346 HydrophobicContact CG-CZ 3.35Å; W66-F346 HydrophobicContact CZ2-CZ 4.45Å; W66-F346 AromaticContact NE1-CE1 3.98Å; W66-F346 AromaticContact NE1-CZ 3.64Å
67V95.2Very high82.3Confident2 Ų256.3 Ų56.31%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-121142.8164.8177.20000107.3F80 I83 L84 E87 T155 F172 A173 M175V67-F80 HydrophobicContact CB-CE2 4.35Å; V67-F80 HydrophobicContact CG1-CE2 3.96Å; V67-F80 WeakPolarHBondContact O-CE2 3.42Å; V67-I83 HydrophobicContact CG1-CG2 4.47Å; V67-L84 HydrophobicContact CB-CD1 4.06Å; V67-L84 HydrophobicContact CG1-CD1 4.19Å; V67-L84 HydrophobicContact CG2-CD1 4.46Å; V67-E87 HydrophobicContact CB-CB 4.24Å; V67-E87 HydrophobicContact CG1-CB 3.59Å; V67-E87 HydrophobicContact CG1-CG 3.96Å; V67-E87 HydrophobicContact CG2-CB 3.52Å; V67-T155 WeakPolarHBondContact CA-OG1 3.48Å; V67-F172 CarbonylContact O-C 3.42Å; V67-F172 WeakPolarHBondContact O-CA 3.49Å; V67-F172 WeakPolarHBondContact O-CB 3.21Å; V67-A173 PolarHBondContact N-O 3.32Å; V67-A173 PolarHBondContact O-N 2.98Å; V67-M175 HydrophobicContact CB-CE 4.22Å; V67-M175 HydrophobicContact CG2-CE 3.51Å
68S94.8Very high81.4Confident13 Ų1356.2 Ų56.29%0.09131%0.307CS..EExtended strand (participates in β ladder)trans-147.7142.3-178.467.60000109.1T153 P154 T155 G171S68-T153 PolarHBondContact OG-O 3.09Å; S68-P154 WeakPolarHBondContact OG-CA 3.35Å; S68-T155 PolarHBondContact N-OG1 3.15Å; S68-T155 PolarHBondContact O-OG1 2.99Å; S68-T155 PolarHBondContact OG-N 3.01Å; S68-T155 PolarHBondContact OG-OG1 3.16Å; S68-G171 CarbonylContact C-O 3.35Å; S68-G171 VanDerWaalsContact CA-O 3.27Å; S68-G171 WeakPolarHBondContact CA-O 3.47Å
69A92.3Very high80.9Confident8 Ų855.6 Ų55.67%0.06630%0.304CS..EExtended strand (participates in β ladder)trans-141.7157.7173.100000110.3F80 I83 A170 G171A69-F80 HydrophobicContact CB-CB 4.21Å; A69-F80 HydrophobicContact CB-CD2 3.96Å; A69-I83 HydrophobicContact CB-CB 4.36Å; A69-I83 HydrophobicContact CB-CD1 3.6Å; A69-A170 WeakPolarHBondContact O-CA 3.44Å; A69-G171 PolarHBondContact N-O 3.06Å; A69-G171 PolarHBondContact O-N 2.83Å
70S90.1Very high80.8Confident51 Ų5146.2 Ų46.236%0.35727%0.269SS..EExtended strand (participates in β ladder)trans-153.2152.5172.265.40000109.5Y165 E169S70-Y165 WeakPolarHBondContact CB-OH 3.27Å; S70-Y165 VanDerWaalsContact OG-CZ 3.31Å; S70-Y165 PolarHBondContact OG-OH 3.01Å; S70-E169 CarbonylContact C-O 3.5Å; S70-E169 VanDerWaalsContact CA-O 3.25Å; S70-E169 WeakPolarHBondContact CA-O 3.38Å
71G82.7Confident80.5Confident27 Ų2742.4 Ų42.428%0.27825%0.246SC..SBendtrans121.9170.6174.300000112.2S73 S79 E169G71-S73 PolarHBondContact O-N 3.28Å; G71-S79 VanDerWaalsContact O-CB 3.32Å; G71-S79 WeakPolarHBondContact O-CB 3.1Å; G71-S79 PolarHBondContact O-OG 3.3Å; G71-E169 PolarHBondContact N-O 3.46Å; G71-E169 WeakPolarHBondContact O-CB 3.41Å
72P72.4Confident80.4Confident118 Ų11844.4 Ų44.477%0.76626%0.262SS*.  trans-64.7131.4-172.727.2-33.8000110.6T74P72-T74 PolarHBondContact O-N 3.22Å
73S67.6Low80.6Confident14 Ų1445.3 Ų45.310%0.09827%0.267CS..  trans-63.2136.916667.60000110.8G71 T75 L77 R123 E169G71-S73 PolarHBondContact O-N 3.28Å; S73-T75 VanDerWaalsContact C-N 3.31Å; S73-T75 WeakPolarHBondContact CB-O 3.1Å; S73-T75 PolarHBondContact OG-O 2.7Å; S73-L77 VanDerWaalsContact CB-O 3.26Å; S73-L77 WeakPolarHBondContact CB-O 3.34Å; S73-R123 PolarHBondContact OG-NH1 3.36Å; S73-E169 VanDerWaalsContact CB-OE2 3.24Å; S73-E169 WeakPolarHBondContact CB-OE2 3.43Å; S73-E169 PolarHBondContact N-OE2 3.08Å; S73-E169 PolarHBondContact OG-OE1 2.82Å
74T64.6Low81.1Confident145 Ų14540.7 Ų40.789%0.8925%0.246SC*.SBendtrans-91.1-0.6167.857.20000111.9P72P72-T74 PolarHBondContact O-N 3.22Å
75T64.7Low81Confident71 Ų7142.4 Ų42.444%0.43626%0.262SS..SBendtrans-128.8170.2-173.452.50000111.2S73 L77S73-T75 VanDerWaalsContact C-N 3.31Å; S73-T75 WeakPolarHBondContact CB-O 3.1Å; S73-T75 PolarHBondContact OG-O 2.7Å; T75-L77 PolarHBondContact O-N 3.32Å; T75-L77 PolarHBondContact OG1-O 2.63Å; T75-L77 VanDerWaalsContact OG1-O 3.09Å
76E66.1Low80.9Confident165 Ų16546.1 Ų46.177%0.77128%0.276SS*.SBendtrans-68.4-18.5171.2-63.7-172.1165.400113.3Q124E76-Q124 PolarHBondContact O-N 2.78Å
77L68.5Low80.7Confident44 Ų4447.8 Ų47.823%0.2328%0.284CS..BIsolated β-bridgetrans-84.4143.5175-167.371000111.2S73 T75 C81S73-L77 VanDerWaalsContact CB-O 3.26Å; S73-L77 WeakPolarHBondContact CB-O 3.34Å; T75-L77 PolarHBondContact O-N 3.32Å; T75-L77 PolarHBondContact OG1-O 2.63Å; T75-L77 VanDerWaalsContact OG1-O 3.09Å; L77-C81 HydrophobicContact CD1-CB 4.12Å; L77-C81 HydrophobicContact CD2-CB 3.73Å; L77-C81 HydrophobicContact CG-CB 3.8Å
78H75.1Confident80.4Confident0 Ų048.5 Ų48.50%029%0.289CS..  trans-53.5137.2173-173.9-111.9000112.9F80 C81 S82 D103 A106 Q124 E169 A170H78-F80 WeakPolarHBondContact ND1-CB 3.42Å; H78-F80 PolarHBondContact ND1-N 3.49Å; H78-F80 PolarHBondContact O-N 3.39Å; H78-F80 VanDerWaalsContact O-N 3.14Å; H78-C81 PolarHBondContact O-N 3.3Å; H78-S82 PolarHBondContact O-N 3.17Å; H78-D103 IonicContact CD2-OD2 3.68Å; H78-D103 IonicContact CE1-OD2 2.9Å; H78-D103 IonicContact NE2-OD2 3.65Å; H78-D103 PolarHBondContact NE2-OD2 2.94Å; H78-A106 HydrophobicContact CB-CB 3.9Å; H78-A106 WeakPolarHBondContact CD2-CB 3.31Å; H78-Q124 PolarHBondContact N-O 3.23Å; H78-E169 IonicContact CD2-OE2 3.42Å; H78-A170 PolarHBondContact CE1-O 2.93Å
79S76.8Confident80.2Confident9 Ų951 Ų516%0.06330%0.299CS..Hα-helixtrans-53.9-35.8-17563.50000114.2G71 S82 I83 E169G71-S79 VanDerWaalsContact O-CB 3.32Å; G71-S79 WeakPolarHBondContact O-CB 3.1Å; G71-S79 PolarHBondContact O-OG 3.3Å; S79-S82 PolarHBondContact O-OG 3.3Å; S79-I83 WeakPolarHBondContact O-CD1 3.39Å; S79-E169 WeakPolarHBondContact CB-OE2 3.47Å; S79-E169 PolarHBondContact N-OE2 3.33Å; S79-E169 PolarHBondContact OG-OE2 2.75Å
80F85.1Confident80.1Confident0 Ų055 Ų550%032%0.315CS..Hα-helixtrans-68.8-40.1177.2175.9-107.8000113.1V67 A69 H78 S82 I83 L84 M100 V102 G171 F172 A173V67-F80 HydrophobicContact CB-CE2 4.35Å; V67-F80 HydrophobicContact CG1-CE2 3.96Å; V67-F80 WeakPolarHBondContact O-CE2 3.42Å; A69-F80 HydrophobicContact CB-CB 4.21Å; A69-F80 HydrophobicContact CB-CD2 3.96Å; H78-F80 WeakPolarHBondContact ND1-CB 3.42Å; H78-F80 PolarHBondContact ND1-N 3.49Å; H78-F80 PolarHBondContact O-N 3.39Å; H78-F80 VanDerWaalsContact O-N 3.14Å; F80-S82 VanDerWaalsContact C-N 3.33Å; F80-S82 PolarHBondContact O-N 3.05Å; F80-I83 PolarHBondContact O-N 3.3Å; F80-L84 HydrophobicContact CE1-CB 4.37Å; F80-L84 HydrophobicContact CE1-CD1 4.37Å; F80-L84 HydrophobicContact CE1-CD2 3.96Å; F80-L84 HydrophobicContact CE1-CG 4.47Å; F80-L84 HydrophobicContact CE2-CD1 4.4Å; F80-L84 HydrophobicContact CZ-CB 4.28Å; F80-L84 HydrophobicContact CZ-CD1 3.78Å; F80-L84 HydrophobicContact CZ-CD2 4.22Å; F80-L84 HydrophobicContact CZ-CG 4.31Å; F80-L84 WeakPolarHBondContact O-CB 3.45Å; F80-L84 PolarHBondContact O-N 3.2Å; F80-M100 HydrophobicContact CD1-CE 3.74Å; F80-M100 HydrophobicContact CE1-CE 3.51Å; F80-M100 HydrophobicContact CE1-CG 3.83Å; F80-M100 HydrophobicContact CE1-SD 3.91Å; F80-V102 HydrophobicContact CD1-CG1 3.84Å; F80-V102 HydrophobicContact CE1-CG1 4.49Å; F80-G171 VanDerWaalsContact CD2-C 3.5Å; F80-G171 VanDerWaalsContact CD2-O 3.25Å; F80-G171 WeakPolarHBondContact CD2-O 3.43Å; F80-F172 VanDerWaalsContact CE2-CA 3.48Å; F80-A173 HydrophobicContact CE1-CB 4.32Å; F80-A173 HydrophobicContact CZ-CB 3.64Å; F80-A173 VanDerWaalsContact CZ-N 3.3Å
81C79.3Confident80.1Confident8 Ų853 Ų535%0.05430%0.301CS..Hα-helixtrans-67.8-35.1-175.2-64.10000111.7L77 H78 C125L77-C81 HydrophobicContact CD1-CB 4.12Å; L77-C81 HydrophobicContact CD2-CB 3.73Å; L77-C81 HydrophobicContact CG-CB 3.8Å; H78-C81 PolarHBondContact O-N 3.3Å; C81-C125 PolarHBondContact SG-O 3.29Å; C81-C125 VanDerWaalsContact SG-O 3.4Å
82S77.1Confident80.5Confident57 Ų5755.6 Ų55.640%0.39930%0.304SS..Hα-helixtrans-67.5-36.1176.959.60000112.5H78 S79 F80H78-S82 PolarHBondContact O-N 3.17Å; S79-S82 PolarHBondContact O-OG 3.3Å; F80-S82 VanDerWaalsContact C-N 3.33Å; F80-S82 PolarHBondContact O-N 3.05Å
83I85.9Confident81.4Confident64 Ų6450.1 Ų50.133%0.32827%0.268SS..Hα-helixtrans-80.7-33-179.6-67.4166.4000111.5V67 A69 S79 F80 A85 E86 E87V67-I83 HydrophobicContact CG1-CG2 4.47Å; A69-I83 HydrophobicContact CB-CB 4.36Å; A69-I83 HydrophobicContact CB-CD1 3.6Å; S79-I83 WeakPolarHBondContact O-CD1 3.39Å; F80-I83 PolarHBondContact O-N 3.3Å; I83-A85 VanDerWaalsContact C-N 3.33Å; I83-A85 PolarHBondContact O-N 3.37Å; I83-E86 PolarHBondContact O-N 3.43Å; I83-E86 VanDerWaalsContact O-N 3.12Å; I83-E87 HydrophobicContact CG2-CG 3.56Å; I83-E87 PolarHBondContact O-N 3.08Å
84L89.4Confident82.5Confident1 Ų151.7 Ų51.71%0.00528%0.275CS..Hα-helixtrans-55.5-46.6-174.8179.562.5000112.6V67 F80 E86 E87 V88 M100 L132 I135 F136 A173V67-L84 HydrophobicContact CB-CD1 4.06Å; V67-L84 HydrophobicContact CG1-CD1 4.19Å; V67-L84 HydrophobicContact CG2-CD1 4.46Å; F80-L84 HydrophobicContact CE1-CB 4.37Å; F80-L84 HydrophobicContact CE1-CD1 4.37Å; F80-L84 HydrophobicContact CE1-CD2 3.96Å; F80-L84 HydrophobicContact CE1-CG 4.47Å; F80-L84 HydrophobicContact CE2-CD1 4.4Å; F80-L84 HydrophobicContact CZ-CB 4.28Å; F80-L84 HydrophobicContact CZ-CD1 3.78Å; F80-L84 HydrophobicContact CZ-CD2 4.22Å; F80-L84 HydrophobicContact CZ-CG 4.31Å; F80-L84 WeakPolarHBondContact O-CB 3.45Å; F80-L84 PolarHBondContact O-N 3.2Å; L84-E86 VanDerWaalsContact C-N 3.29Å; L84-E86 PolarHBondContact O-N 2.85Å; L84-E87 PolarHBondContact O-N 2.96Å; L84-V88 HydrophobicContact CD1-CG2 3.64Å; L84-V88 HydrophobicContact CG-CG2 4.17Å; L84-V88 WeakPolarHBondContact O-CB 3.49Å; L84-V88 WeakPolarHBondContact O-CG2 3.14Å; L84-V88 PolarHBondContact O-N 2.97Å; L84-M100 HydrophobicContact CD2-CE 4.47Å; L84-M100 HydrophobicContact CD2-SD 4.14Å; L84-L132 HydrophobicContact CD2-CD2 4.17Å; L84-I135 HydrophobicContact CD2-CD1 4.38Å; L84-I135 HydrophobicContact CG-CG2 4.46Å; L84-F136 HydrophobicContact CD1-CZ 4.22Å; L84-F136 HydrophobicContact CD2-CE2 4.28Å; L84-F136 HydrophobicContact CD2-CZ 4.25Å; L84-A173 HydrophobicContact CD1-CB 4.03Å
85A86.6Confident83.8Confident45 Ų4545.2 Ų45.237%0.37224%0.236SC..Hα-helixtrans-62-37.7-178.700000112.2I83 E89 I135I83-A85 VanDerWaalsContact C-N 3.33Å; I83-A85 PolarHBondContact O-N 3.37Å; A85-E89 WeakPolarHBondContact O-CG 3.21Å; A85-I135 HydrophobicContact CB-CD1 4.09Å; A85-I135 HydrophobicContact CB-CG1 4.19Å
86E88.6Confident85.2Confident116 Ų11646 Ų4654%0.54223%0.233SC..Hα-helixtrans-73.2-45.2178.8-168.6-167.614700111.8I83 L84 E89 K90I83-E86 PolarHBondContact O-N 3.43Å; I83-E86 VanDerWaalsContact O-N 3.12Å; L84-E86 VanDerWaalsContact C-N 3.29Å; L84-E86 PolarHBondContact O-N 2.85Å; E86-E89 WeakPolarHBondContact O-CB 3.22Å; E86-E89 PolarHBondContact O-N 2.81Å; E86-K90 IonicContact OE1-NZ 2.7Å; E86-K90 PolarHBondContact OE1-NZ 3.12Å
87E91.1Very high86.6Confident45 Ų4538.3 Ų38.321%0.2120%0.198CC..Hα-helixtrans-72-33.3-175.9-69.9-59.1126.200112.4V67 I83 L84 E89 K90V67-E87 HydrophobicContact CB-CB 4.24Å; V67-E87 HydrophobicContact CG1-CB 3.59Å; V67-E87 HydrophobicContact CG1-CG 3.96Å; V67-E87 HydrophobicContact CG2-CB 3.52Å; I83-E87 HydrophobicContact CG2-CG 3.56Å; I83-E87 PolarHBondContact O-N 3.08Å; L84-E87 PolarHBondContact O-N 2.96Å; E87-E89 PolarHBondContact O-N 3.25Å; E87-K90 WeakPolarHBondContact O-CB 3.36Å; E87-K90 PolarHBondContact O-N 3.37Å; E87-K90 IonicContact OE1-NZ 3.1Å; E87-K90 PolarHBondContact OE1-NZ 2.98Å
88V89.9Confident87.9Confident17 Ų1736.2 Ų36.210%0.10319%0.187CC..Hα-helixtrans-61.2-29.8175.11690000112L84 K90 V91 I135 F136 M175L84-V88 HydrophobicContact CD1-CG2 3.64Å; L84-V88 HydrophobicContact CG-CG2 4.17Å; L84-V88 WeakPolarHBondContact O-CB 3.49Å; L84-V88 WeakPolarHBondContact O-CG2 3.14Å; L84-V88 PolarHBondContact O-N 2.97Å; V88-K90 PolarHBondContact O-N 3.42Å; V88-V91 PolarHBondContact O-N 3.38Å; V88-I135 HydrophobicContact CB-CG2 3.94Å; V88-I135 HydrophobicContact CG1-CG2 3.84Å; V88-I135 HydrophobicContact CG2-CG2 3.8Å; V88-F136 HydrophobicContact CG1-CE1 4.47Å; V88-F136 HydrophobicContact CG2-CE1 3.89Å; V88-F136 HydrophobicContact CG2-CZ 4.24Å; V88-M175 HydrophobicContact CG2-CE 3.68Å; V88-M175 HydrophobicContact CG2-SD 4.41Å
89E89.6Confident89Confident65 Ų6536.4 Ų36.430%0.30419%0.188SC..THydrogen-bonded Turntrans-64.4-20.8174.6-66.8-68.6160.200112.9P36 K38 A85 E86 E87P36-E89 WeakPolarHBondContact CB-O 3.14Å; P36-E89 WeakPolarHBondContact CG-O 3.23Å; K38-E89 VanDerWaalsContact CD-CD 3.44Å; K38-E89 WeakPolarHBondContact CD-OE1 3.43Å; K38-E89 WeakPolarHBondContact CD-OE2 3.41Å; K38-E89 WeakPolarHBondContact CE-OE1 3.5Å; K38-E89 IonicContact NZ-OE1 3.93Å; K38-E89 PolarHBondContact NZ-OE1 3.29Å; A85-E89 WeakPolarHBondContact O-CG 3.21Å; E86-E89 WeakPolarHBondContact O-CB 3.22Å; E86-E89 PolarHBondContact O-N 2.81Å; E87-E89 PolarHBondContact O-N 3.25Å
90K90.7Very high89.8Confident92 Ų9236 Ų3640%0.419%0.185SC..THydrogen-bonded Turntrans-95.3-0.1-176.8-55.2171.1-167.71670112.6E86 E87 V88 F92E86-K90 IonicContact OE1-NZ 2.7Å; E86-K90 PolarHBondContact OE1-NZ 3.12Å; E87-K90 WeakPolarHBondContact O-CB 3.36Å; E87-K90 PolarHBondContact O-N 3.37Å; E87-K90 IonicContact OE1-NZ 3.1Å; E87-K90 PolarHBondContact OE1-NZ 2.98Å; V88-K90 PolarHBondContact O-N 3.42Å; K90-F92 VanDerWaalsContact O-CD2 3.24Å; K90-F92 WeakPolarHBondContact O-CD2 3.36Å; K90-F92 VanDerWaalsContact O-CE2 3.26Å; K90-F92 WeakPolarHBondContact O-CE2 3.38Å
91V90.6Very high90.3Very high11 Ų1136 Ų367%0.06719%0.185CC..  trans-82.7132.6-171.8176.40000112.8T37 T65 V88 L93 M175T37-V91 WeakPolarHBondContact CB-O 3.17Å; T37-V91 PolarHBondContact N-O 3.43Å; T37-V91 PolarHBondContact OG1-O 3.43Å; T65-V91 HydrophobicContact CG2-CG1 4Å; T65-V91 HydrophobicContact CG2-CG2 4.04Å; V88-V91 PolarHBondContact O-N 3.38Å; V91-L93 VanDerWaalsContact C-N 3.32Å; V91-L93 HydrophobicContact CG1-CB 3.65Å; V91-L93 PolarHBondContact O-N 3.25Å; V91-M175 HydrophobicContact CG1-SD 4.15Å; V91-M175 HydrophobicContact CG2-CE 4.1Å; V91-M175 HydrophobicContact CG2-SD 4.09Å
92F90.6Very high90.8Very high81 Ų8135.6 Ų35.636%0.35518%0.182SC..  trans-98.436.8177.9-65.9-96.6000112I35 P36 T37 Q61 K90I35-F92 VanDerWaalsContact C-CE1 3.43Å; I35-F92 WeakPolarHBondContact O-CE1 3.3Å; P36-F92 HydrophobicContact CG-CE2 4.38Å; P36-F92 HydrophobicContact CG-CZ 4.09Å; T37-F92 VanDerWaalsContact OG1-C 3.28Å; T37-F92 WeakPolarHBondContact OG1-CA 3.16Å; Q61-F92 CarbonylContact C-O 3.46Å; Q61-F92 WeakPolarHBondContact CB-O 3.48Å; K90-F92 VanDerWaalsContact O-CD2 3.24Å; K90-F92 WeakPolarHBondContact O-CD2 3.36Å; K90-F92 VanDerWaalsContact O-CE2 3.26Å; K90-F92 WeakPolarHBondContact O-CE2 3.38Å
93L90.7Very high91.3Very high2 Ų233.1 Ų33.11%0.0116%0.164CC..SBendtrans-137.8143.9-179.5159.372.3000108.8T37 V91 P95 M175 P177T37-L93 WeakPolarHBondContact CB-O 3.44Å; T37-L93 WeakPolarHBondContact CG2-O 3.46Å; T37-L93 VanDerWaalsContact OG1-C 3.26Å; T37-L93 PolarHBondContact OG1-N 3.14Å; T37-L93 PolarHBondContact OG1-O 3.15Å; T37-L93 VanDerWaalsContact OG1-O 3.06Å; V91-L93 VanDerWaalsContact C-N 3.32Å; V91-L93 HydrophobicContact CG1-CB 3.65Å; V91-L93 PolarHBondContact O-N 3.25Å; L93-P95 WeakPolarHBondContact O-CD 3.25Å; L93-M175 HydrophobicContact CD2-CB 3.57Å; L93-M175 WeakPolarHBondContact CD2-O 3.32Å; L93-P177 HydrophobicContact CD1-CB 3.29Å; L93-P177 HydrophobicContact CD1-CG 3.62Å
94L91.2Very high90.7Very high47 Ų4731.9 Ų31.925%0.24616%0.161CC..  trans-95.199.1165.8-176.967.1000109T37 L41 K96 P137T37-L94 HydrophobicContact CG2-CB 4Å; T37-L94 HydrophobicContact CG2-CD1 4.04Å; L41-L94 HydrophobicContact CD1-CD1 4.29Å; L94-K96 PolarHBondContact O-N 2.96Å; L94-P137 HydrophobicContact CD1-CB 4.21Å; L94-P137 HydrophobicContact CD1-CG 3.73Å
95P92.4Very high89.2Confident9 Ų935.3 Ų35.36%0.05818%0.177CC..  trans-65136.1-177.925.7-33.7000111L93 V98 F136 P137 M175L93-P95 WeakPolarHBondContact O-CD 3.25Å; P95-V98 HydrophobicContact CB-CG2 4.06Å; P95-F136 HydrophobicContact CG-CD1 4.17Å; P95-P137 HydrophobicContact CG-CG 4.01Å; P95-M175 HydrophobicContact CB-CB 4.11Å; P95-M175 HydrophobicContact CB-CG 4.35Å
96K93.5Very high87.4Confident88 Ų8833.1 Ų33.138%0.38316%0.159SC..SBendtrans-105.3-35.2167.1-78.8-48.5-165.4172.40112.7L94 C140 D141 L176 N178L94-K96 PolarHBondContact O-N 2.96Å; K96-C140 WeakPolarHBondContact O-CA 3.37Å; K96-D141 PolarHBondContact O-N 3.02Å; K96-L176 PolarHBondContact N-O 2.89Å; K96-N178 HydrophobicContact CG-CB 3.73Å
97T95.6Very high85.5Confident4 Ų430.4 Ų30.43%0.02515%0.148CC..EExtended strand (participates in β ladder)trans-131.9139.3175.2-51.20000109.3D141 L176 I184 L269T97-D141 CarbonylContact C-O 3.59Å; T97-D141 WeakPolarHBondContact CA-O 3.49Å; T97-D141 HydrophobicContact CG2-CB 4.36Å; T97-L176 PolarHBondContact N-O 2.76Å; T97-L176 PolarHBondContact O-N 2.93Å; T97-I184 HydrophobicContact CG2-CG2 3.88Å; T97-L269 HydrophobicContact CG2-CD1 4.3Å; T97-L269 HydrophobicContact CG2-CD2 3.74Å
98V96.2Very high83.3Confident0 Ų031.2 Ų31.20%016%0.156CC..EExtended strand (participates in β ladder)trans-124.7125.8175.6178.40000109.1P95 M100 F136 D141 I142 V143 A173 V174 M175P95-V98 HydrophobicContact CB-CG2 4.06Å; V98-M100 HydrophobicContact CG1-CB 4.48Å; V98-F136 HydrophobicContact CG1-CE1 4.34Å; V98-F136 HydrophobicContact CG1-CE2 4.23Å; V98-F136 HydrophobicContact CG1-CZ 3.88Å; V98-F136 HydrophobicContact CG2-CD1 3.9Å; V98-F136 HydrophobicContact CG2-CE1 3.79Å; V98-F136 HydrophobicContact CG2-CG 4.32Å; V98-F136 HydrophobicContact CG2-CZ 4.11Å; V98-D141 PolarHBondContact N-O 3.43Å; V98-I142 HydrophobicContact CB-CB 4.49Å; V98-I142 HydrophobicContact CB-CG1 4.2Å; V98-I142 HydrophobicContact CB-CG2 4.31Å; V98-I142 HydrophobicContact CG1-CG2 4.43Å; V98-I142 CarbonylContact O-C 3.42Å; V98-I142 WeakPolarHBondContact O-CA 3.37Å; V98-V143 PolarHBondContact O-N 2.95Å; V98-A173 HydrophobicContact CG1-CB 3.97Å; V98-V174 VanDerWaalsContact CA-O 3.29Å; V98-V174 WeakPolarHBondContact CA-O 3.48Å; V98-M175 HydrophobicContact CG2-CG 4.12Å
99L97.1Very high80.8Confident3 Ų333.6 Ų33.62%0.01618%0.184CC..EExtended strand (participates in β ladder)trans-104.1114.1168.1177.260.2000108.3M101 V143 A173 V174 F216 L269 F313L99-M101 HydrophobicContact CD1-CE 4.03Å; L99-M101 HydrophobicContact CD2-CE 3.72Å; L99-M101 HydrophobicContact CG-CE 3.94Å; L99-V143 HydrophobicContact CD1-CB 4.15Å; L99-V143 HydrophobicContact CD1-CG1 3.87Å; L99-A173 CarbonylContact O-C 3.44Å; L99-A173 WeakPolarHBondContact O-CA 3.38Å; L99-V174 PolarHBondContact N-O 3.31Å; L99-V174 PolarHBondContact O-N 3.43Å; L99-F216 HydrophobicContact CD1-CE2 3.78Å; L99-F216 HydrophobicContact CD1-CZ 4.24Å; L99-F216 HydrophobicContact CD2-CZ 4.44Å; L99-L269 HydrophobicContact CB-CD1 4.33Å; L99-F313 HydrophobicContact CD2-CE1 3.94Å; L99-F313 HydrophobicContact CD2-CZ 4.39Å
100M95.1Very high78.4Confident1 Ų135.8 Ų35.81%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-116.1129.5-177.6-175.4176.6156.800110.3F80 L84 V98 V102 L132 V143 G144 I145 F172 A173 F252F80-M100 HydrophobicContact CD1-CE 3.74Å; F80-M100 HydrophobicContact CE1-CE 3.51Å; F80-M100 HydrophobicContact CE1-CG 3.83Å; F80-M100 HydrophobicContact CE1-SD 3.91Å; L84-M100 HydrophobicContact CD2-CE 4.47Å; L84-M100 HydrophobicContact CD2-SD 4.14Å; V98-M100 HydrophobicContact CG1-CB 4.48Å; M100-V102 HydrophobicContact CE-CG1 3.79Å; M100-L132 HydrophobicContact SD-CD2 4.17Å; M100-V143 PolarHBondContact N-O 3.25Å; M100-G144 WeakPolarHBondContact O-CA 3.48Å; M100-I145 PolarHBondContact O-N 3.12Å; M100-F172 CarbonylContact C-O 3.55Å; M100-F172 VanDerWaalsContact CA-O 3.3Å; M100-F172 WeakPolarHBondContact CA-O 3.28Å; M100-A173 HydrophobicContact CB-CB 4.3Å; M100-A173 HydrophobicContact CG-CB 4.27Å; M100-F252 HydrophobicContact CB-CZ 4.31Å; M100-F252 HydrophobicContact CE-CE2 3.97Å; M100-F252 HydrophobicContact CE-CZ 3.66Å; M100-F252 HydrophobicContact CG-CZ 3.88Å; M100-F252 HydrophobicContact SD-CE2 4.03Å; M100-F252 HydrophobicContact SD-CZ 3.84Å
101M94.1Very high75.7Confident0 Ų040.6 Ų40.60%022%0.218CC..EExtended strand (participates in β ladder)trans-128.6138.8175.2-51.2-165.5-172.900109.7L99 I145 I150 G171 F172 F216 L348L99-M101 HydrophobicContact CD1-CE 4.03Å; L99-M101 HydrophobicContact CD2-CE 3.72Å; L99-M101 HydrophobicContact CG-CE 3.94Å; M101-I145 WeakPolarHBondContact CA-O 3.13Å; M101-I145 HydrophobicContact CB-CG1 4.2Å; M101-I145 HydrophobicContact CE-CD1 3.84Å; M101-I145 HydrophobicContact CG-CD1 3.83Å; M101-I145 HydrophobicContact CG-CG1 3.7Å; M101-I145 HydrophobicContact SD-CD1 3.79Å; M101-I145 HydrophobicContact SD-CG1 4.29Å; M101-I150 HydrophobicContact CB-CD1 3.72Å; M101-G171 CarbonylContact O-C 3.57Å; M101-G171 WeakPolarHBondContact O-CA 3.29Å; M101-F172 HydrophobicContact CB-CD1 4.29Å; M101-F172 HydrophobicContact CB-CE1 3.72Å; M101-F172 HydrophobicContact CB-CE2 4.26Å; M101-F172 HydrophobicContact CB-CZ 3.71Å; M101-F172 HydrophobicContact CE-CZ 3.98Å; M101-F172 HydrophobicContact CG-CE1 3.99Å; M101-F172 HydrophobicContact CG-CE2 3.9Å; M101-F172 HydrophobicContact CG-CZ 3.44Å; M101-F172 VanDerWaalsContact CG-CZ 3.44Å; M101-F172 PolarHBondContact N-O 2.89Å; M101-F172 PolarHBondContact O-N 2.9Å; M101-F172 HydrophobicContact SD-CE1 3.98Å; M101-F172 HydrophobicContact SD-CE2 4.31Å; M101-F172 HydrophobicContact SD-CZ 3.41Å; M101-F172 WeakPolarHBondContact SD-CZ 3.46Å; M101-F216 HydrophobicContact CE-CE1 3.62Å; M101-F216 HydrophobicContact CE-CE2 4.16Å; M101-F216 HydrophobicContact CE-CZ 3.27Å; M101-L348 HydrophobicContact SD-CB 4.36Å; M101-L348 HydrophobicContact SD-CD2 4.01Å
102V91.1Very high73.3Confident0 Ų045.2 Ų45.20%024%0.235CC..EExtended strand (participates in β ladder)trans-136.8151.2176.1-59.70000109F80 M100 I145 A146 T147 F252F80-V102 HydrophobicContact CD1-CG1 3.84Å; F80-V102 HydrophobicContact CE1-CG1 4.49Å; M100-V102 HydrophobicContact CE-CG1 3.79Å; V102-I145 PolarHBondContact N-O 3.31Å; V102-A146 HydrophobicContact CG2-CB 4.31Å; V102-A146 VanDerWaalsContact O-CA 3.31Å; V102-A146 WeakPolarHBondContact O-CA 3.26Å; V102-T147 PolarHBondContact O-N 3.03Å; V102-F252 HydrophobicContact CG2-CD1 4.3Å; V102-F252 HydrophobicContact CG2-CE1 3.72Å
103D88.1Confident70.4Confident4 Ų446.9 Ų46.92%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-68.8158.3171.976.293000111.5H78 E105 A106 T147 I150 E169 A170H78-D103 IonicContact CD2-OD2 3.68Å; H78-D103 IonicContact CE1-OD2 2.9Å; H78-D103 IonicContact NE2-OD2 3.65Å; H78-D103 PolarHBondContact NE2-OD2 2.94Å; D103-E105 WeakPolarHBondContact OD1-CA 3.4Å; D103-E105 WeakPolarHBondContact OD1-CB 3.22Å; D103-E105 PolarHBondContact OD1-N 2.89Å; D103-A106 WeakPolarHBondContact O-CB 3.46Å; D103-T147 CarbonylContact C-O 3.55Å; D103-T147 VanDerWaalsContact CA-O 3.22Å; D103-T147 WeakPolarHBondContact CA-O 3.33Å; D103-I150 HydrophobicContact CB-CG1 4.14Å; D103-E169 VanDerWaalsContact OD2-CA 3.23Å; D103-E169 WeakPolarHBondContact OD2-CA 2.9Å; D103-A170 PolarHBondContact N-O 2.9Å; D103-A170 PolarHBondContact OD2-N 2.75Å
104C72.7Confident67.9Low39 Ų3956.7 Ų56.726%0.26429%0.294SS..G310 helixtrans-79.7-13.7-175.165.10000114.5A106 L107 T147 E249C104-A106 PolarHBondContact O-N 2.73Å; C104-A106 VanDerWaalsContact O-N 3.08Å; C104-L107 PolarHBondContact O-N 2.87Å; C104-L107 VanDerWaalsContact O-N 3.08Å; C104-T147 PolarHBondContact N-O 3.41Å; C104-E249 HydrophobicContact CB-CB 4.35Å; C104-E249 HydrophobicContact CB-CG 3.84Å
105E58.7Low65.3Low72 Ų7263.3 Ų63.334%0.33632%0.324SS..G310 helixtrans-59.3-25.2176.1-61.2-157135.600110.5D103 L107 T108 K120D103-E105 WeakPolarHBondContact OD1-CA 3.4Å; D103-E105 WeakPolarHBondContact OD1-CB 3.22Å; D103-E105 PolarHBondContact OD1-N 2.89Å; E105-L107 PolarHBondContact O-N 3.28Å; E105-T108 PolarHBondContact O-OG1 2.57Å; E105-K120 IonicContact OE1-NZ 2.77Å; E105-K120 PolarHBondContact OE1-NZ 2.92Å; E105-K120 IonicContact OE2-NZ 3.02Å
106A48.5Very low62.5Low0 Ų071.8 Ų71.80%036%0.363CS..G310 helixtrans-66.5-26.8176.100000115.7H78 D103 C104 R123 Q124 C125H78-A106 HydrophobicContact CB-CB 3.9Å; H78-A106 WeakPolarHBondContact CD2-CB 3.31Å; D103-A106 WeakPolarHBondContact O-CB 3.46Å; C104-A106 PolarHBondContact O-N 2.73Å; C104-A106 VanDerWaalsContact O-N 3.08Å; A106-R123 CarbonylContact O-C 3.52Å; A106-R123 VanDerWaalsContact O-C 3.28Å; A106-Q124 CarbonylContact O-C 3.46Å; A106-C125 HydrophobicContact CB-CB 3.61Å; A106-C125 WeakPolarHBondContact O-CA 3.34Å; A106-C125 VanDerWaalsContact O-CB 3.24Å; A106-C125 WeakPolarHBondContact O-CB 3.41Å; A106-C125 PolarHBondContact O-N 3.13Å
107L48.9Very low59.7Low59 Ų5972 Ų7231%0.30938%0.376SS..G310 helixtrans-103.35.6-161.4-87167.8000116.3C104 E105 G109 C125 A146C104-L107 PolarHBondContact O-N 2.87Å; C104-L107 VanDerWaalsContact O-N 3.08Å; E105-L107 PolarHBondContact O-N 3.28Å; L107-G109 PolarHBondContact O-N 3.29Å; L107-C125 HydrophobicContact CB-CB 4.45Å; L107-C125 HydrophobicContact CD2-CB 3.44Å; L107-C125 VanDerWaalsContact CD2-CB 3.44Å; L107-C125 HydrophobicContact CG-CB 3.54Å; L107-A146 HydrophobicContact CD1-CB 3.11Å; L107-A146 HydrophobicContact CG-CB 4.5Å
108T43.4Very low56.9Low62 Ų6282.2 Ų82.238%0.3842%0.419SS..  trans-77.147-156.938.40000116.7E105 Q110 S122E105-T108 PolarHBondContact O-OG1 2.57Å; T108-Q110 PolarHBondContact O-N 3.49Å; T108-S122 VanDerWaalsContact C-CB 3.48Å; T108-S122 WeakPolarHBondContact O-CA 3.46Å; T108-S122 WeakPolarHBondContact O-CB 3.36Å; T108-S122 PolarHBondContact O-OG 3.23Å; T108-S122 WeakPolarHBondContact OG1-CA 3.37Å
109G38.5Very low54.1Low67 Ų6787 Ų8769%0.69146%0.46SS*.SBendtrans-77.6516000000113.8L107 S122L107-G109 PolarHBondContact O-N 3.29Å; G109-S122 WeakPolarHBondContact CA-OG 3.44Å; G109-S122 PolarHBondContact N-OG 2.87Å
110Q39.3Very low51.6Low110 Ų11093.8 Ų93.851%0.51449%0.489SS..SBendtrans-124.8130.4178.3-69.2-172.7-96.900110.1T108 Y112T108-Q110 PolarHBondContact O-N 3.49Å; Q110-Y112 VanDerWaalsContact C-N 3.31Å; Q110-Y112 HydrophobicContact CB-CD2 3.83Å; Q110-Y112 HydrophobicContact CB-CE2 4.02Å; Q110-Y112 PolarHBondContact O-N 2.82Å
111E34.4Very low49.1Very low193 Ų193103.1 Ų103.190%0.90253%0.529SS*.  trans-58.890167.7-66.7176.9150.100109.7
112Y39.5Very low46.8Very low108 Ų108106.1 Ų106.142%0.42455%0.55SS.*  trans-113.892.3162.9-84.8-102.1000107.4Q110 Y114 E219 Y221Q110-Y112 VanDerWaalsContact C-N 3.31Å; Q110-Y112 HydrophobicContact CB-CD2 3.83Å; Q110-Y112 HydrophobicContact CB-CE2 4.02Å; Q110-Y112 PolarHBondContact O-N 2.82Å; Y112-Y114 PolarHBondContact O-N 3.21Å; Y112-E219 PolarHBondContact OH-OE1 3.13Å; Y112-Y221 WeakPolarHBondContact CE1-OH 3.47Å
113C29.8Very low44.9Very low117 Ų117111.1 Ų111.179%0.79157%0.569SS**  trans-79.2100.9171.8-68.80000108.9
114Y37.9Very low43.2Very low207 Ų207116.9 Ų116.981%0.81260%0.596SS**  trans-82.5122.7136.6-99.8-89.8000106.1Y112 Q116Y112-Y114 PolarHBondContact O-N 3.21Å; Y114-Q116 PolarHBondContact O-N 3.41Å
115E35.8Very low42.1Very low187 Ų187115.3 Ų115.387%0.87459%0.585SS**SBendtrans-64.778176.5-72-169.8142.200110.3
116Q34.2Very low41.7Very low186 Ų186117.6 Ų117.687%0.86960%0.597SS**SBendtrans-168.752.6161.5-107.416757.100112Y114Y114-Q116 PolarHBondContact O-N 3.41Å
117S35.1Very low41.9Very low94 Ų94118.2 Ų118.266%0.65760%0.602SS**  trans168.6112.6133.7560000109.3
118K37.5Very low42.4Very low217 Ų217117.9 Ų117.994%0.94360%0.602SS**  trans-76.4135170-72.2-178.1176.3176.80108.1
119A36.3Very low43.5Very low102 Ų102116.4 Ų116.484%0.84360%0.596SS**  trans91.168.4172.600000117.5
120K45.3Very low44.9Very low144 Ų144119.7 Ų119.763%0.62659%0.593SS**  trans-127.8126.2149.1-73.3-176-178179.90109.1E105E105-K120 IonicContact OE1-NZ 2.77Å; E105-K120 PolarHBondContact OE1-NZ 2.92Å; E105-K120 IonicContact OE2-NZ 3.02Å
121K42Very low46.6Very low198 Ų198117.9 Ų117.986%0.86159%0.585SS**  trans-64.4133.4176.5-75.9178.9175.1179.30109.1R123K121-R123 PolarHBondContact O-N 2.9Å
122S46.4Very low48.6Very low62 Ų62108.8 Ų108.843%0.43454%0.543SS..  trans-40.9116.2167.61770000111.7T108 G109T108-S122 VanDerWaalsContact C-CB 3.48Å; T108-S122 WeakPolarHBondContact O-CA 3.46Å; T108-S122 WeakPolarHBondContact O-CB 3.36Å; T108-S122 PolarHBondContact O-OG 3.23Å; T108-S122 WeakPolarHBondContact OG1-CA 3.37Å; G109-S122 WeakPolarHBondContact CA-OG 3.44Å; G109-S122 PolarHBondContact N-OG 2.87Å
123R51Low50.5Low105 Ų105107.8 Ų107.840%0.39655%0.545SS..  trans-91.3154.7163.4-69.4-178.7177.9-174-6.6109.3S73 A106 K121 E169S73-R123 PolarHBondContact OG-NH1 3.36Å; A106-R123 CarbonylContact O-C 3.52Å; A106-R123 VanDerWaalsContact O-C 3.28Å; K121-R123 PolarHBondContact O-N 2.9Å; R123-E169 VanDerWaalsContact CD-OE1 3.31Å; R123-E169 WeakPolarHBondContact CD-OE1 3.33Å; R123-E169 IonicContact CZ-OE1 3.16Å; R123-E169 IonicContact NE-OE1 2.73Å; R123-E169 IonicContact NH1-OE1 2.67Å; R123-E169 PolarHBondContact NH1-OE1 3.41Å
124Q51.3Low53.1Low125 Ų125109 Ų10958%0.58454%0.539SS*.BIsolated β-bridgetrans-95.3112.1175.6-73.2-176-1.700108.6E76 H78 A106 M126E76-Q124 PolarHBondContact O-N 2.78Å; H78-Q124 PolarHBondContact N-O 3.23Å; A106-Q124 CarbonylContact O-C 3.46Å; Q124-M126 PolarHBondContact O-N 3.21Å
125C49.7Very low55.5Low6 Ų6100.4 Ų100.44%0.04151%0.507CS..  trans-70.1-21167.7-173.20000110.8C81 A106 L107 S127C81-C125 PolarHBondContact SG-O 3.29Å; C81-C125 VanDerWaalsContact SG-O 3.4Å; A106-C125 HydrophobicContact CB-CB 3.61Å; A106-C125 WeakPolarHBondContact O-CA 3.34Å; A106-C125 VanDerWaalsContact O-CB 3.24Å; A106-C125 WeakPolarHBondContact O-CB 3.41Å; A106-C125 PolarHBondContact O-N 3.13Å; L107-C125 HydrophobicContact CB-CB 4.45Å; L107-C125 HydrophobicContact CD2-CB 3.44Å; L107-C125 VanDerWaalsContact CD2-CB 3.44Å; L107-C125 HydrophobicContact CG-CB 3.54Å; C125-S127 PolarHBondContact O-N 2.81Å
126M51.3Low58.1Low121 Ų12192 Ų9260%0.59647%0.467SS*.  trans-70.994.3-168.8-69.8-171.966.600110.5Q124Q124-M126 PolarHBondContact O-N 3.21Å
127S53.2Low60.6Low13 Ų1385.2 Ų85.29%0.09144%0.439CS..  -59.8123.9125.861.80000106.2C125 E131 L132C125-S127 PolarHBondContact O-N 2.81Å; S127-E131 WeakPolarHBondContact CA-OE2 3.22Å; S127-E131 VanDerWaalsContact CB-OE2 3.22Å; S127-E131 WeakPolarHBondContact CB-OE2 3.46Å; S127-L132 WeakPolarHBondContact OG-CG 3.39Å
128T59.1Low63Low51 Ų5190.8 Ų90.831%0.31345%0.451SS..  trans-50.8151.4175.552.50000109.9E130 E131 L132T128-E130 PolarHBondContact O-N 3.25Å; T128-E131 PolarHBondContact N-OE1 3.27Å; T128-E131 WeakPolarHBondContact O-CB 3.16Å; T128-E131 PolarHBondContact O-N 2.96Å; T128-E131 WeakPolarHBondContact OG1-CG 3.29Å; T128-E131 PolarHBondContact OG1-N 2.84Å; T128-E131 PolarHBondContact OG1-OE1 2.94Å; T128-L132 PolarHBondContact O-N 2.95Å
129A65.2Low65.3Low31 Ų3183.6 Ų83.626%0.25644%0.439SS..Hα-helixtrans-52.2-28.7172.400000111.1N133 Y253 P255A129-N133 WeakPolarHBondContact O-CB 3.35Å; A129-N133 PolarHBondContact O-N 2.85Å; A129-N133 PolarHBondContact O-ND2 2.74Å; A129-Y253 HydrophobicContact CB-CD2 4.32Å; A129-Y253 HydrophobicContact CB-CE2 4.17Å; A129-P255 HydrophobicContact CB-CG 3.61Å
130E68.3Low68Low136 Ų13679.4 Ų79.464%0.63640%0.403SS*.Hα-helixtrans-62.5-44.3171.5-59.7179.4173.600113.3T128 N133 Q134T128-E130 PolarHBondContact O-N 3.25Å; E130-N133 CarbonylContact O-C 3.55Å; E130-N133 WeakPolarHBondContact O-CB 3.27Å; E130-N133 PolarHBondContact O-N 2.96Å; E130-Q134 VanDerWaalsContact O-CG 3.3Å; E130-Q134 WeakPolarHBondContact O-CG 3.13Å; E130-Q134 PolarHBondContact O-N 2.88Å
131E75.1Confident70.3Confident72 Ų7276 Ų7634%0.33639%0.392SS..Hα-helixtrans-64.2-44.2175-76.8159.9-115.200112.4S127 T128 N133 Q134 I135S127-E131 WeakPolarHBondContact CA-OE2 3.22Å; S127-E131 VanDerWaalsContact CB-OE2 3.22Å; S127-E131 WeakPolarHBondContact CB-OE2 3.46Å; T128-E131 PolarHBondContact N-OE1 3.27Å; T128-E131 WeakPolarHBondContact O-CB 3.16Å; T128-E131 PolarHBondContact O-N 2.96Å; T128-E131 WeakPolarHBondContact OG1-CG 3.29Å; T128-E131 PolarHBondContact OG1-N 2.84Å; T128-E131 PolarHBondContact OG1-OE1 2.94Å; E131-N133 VanDerWaalsContact C-N 3.26Å; E131-N133 PolarHBondContact O-N 3.29Å; E131-Q134 WeakPolarHBondContact O-CA 3.46Å; E131-Q134 WeakPolarHBondContact O-CB 3.36Å; E131-Q134 PolarHBondContact O-N 2.79Å; E131-I135 WeakPolarHBondContact O-CG1 3.35Å; E131-I135 PolarHBondContact O-N 2.9Å
132L77.1Confident72.8Confident2 Ų267.1 Ų67.11%0.0135%0.354CS..Hα-helixtrans-61.2-39174.9-69175.1000111.3L84 M100 S127 T128 Q134 I135 F136 F252 Y253L84-L132 HydrophobicContact CD2-CD2 4.17Å; M100-L132 HydrophobicContact SD-CD2 4.17Å; S127-L132 WeakPolarHBondContact OG-CG 3.39Å; T128-L132 PolarHBondContact O-N 2.95Å; L132-Q134 PolarHBondContact O-N 2.77Å; L132-I135 HydrophobicContact CD2-CD1 4.4Å; L132-I135 PolarHBondContact O-N 3.29Å; L132-F136 PolarHBondContact O-N 3.42Å; L132-F136 VanDerWaalsContact O-N 3.14Å; L132-F252 HydrophobicContact CD1-CD2 4.44Å; L132-F252 HydrophobicContact CD1-CE2 4.09Å; L132-Y253 HydrophobicContact CB-CD2 4.48Å; L132-Y253 HydrophobicContact CB-CE2 4.38Å; L132-Y253 HydrophobicContact CD1-CD2 3.84Å; L132-Y253 HydrophobicContact CD1-CG 4.39Å
133N79.6Confident75.1Confident88 Ų8864.2 Ų64.247%0.47133%0.334SS..Hα-helixtrans-66.7-19.1173.5-70.7-23.1000113.5A129 E130 E131 Y253A129-N133 WeakPolarHBondContact O-CB 3.35Å; A129-N133 PolarHBondContact O-N 2.85Å; A129-N133 PolarHBondContact O-ND2 2.74Å; E130-N133 CarbonylContact O-C 3.55Å; E130-N133 WeakPolarHBondContact O-CB 3.27Å; E130-N133 PolarHBondContact O-N 2.96Å; E131-N133 VanDerWaalsContact C-N 3.26Å; E131-N133 PolarHBondContact O-N 3.29Å; N133-Y253 PolarHBondContact OD1-OH 3.01Å
134Q83.8Confident77.1Confident143 Ų14359.2 Ų59.267%0.66832%0.315SS*.Hα-helixtrans-88.4-28.9173.5-71.8174.82900112.7E130 E131 L132E130-Q134 VanDerWaalsContact O-CG 3.3Å; E130-Q134 WeakPolarHBondContact O-CG 3.13Å; E130-Q134 PolarHBondContact O-N 2.88Å; E131-Q134 WeakPolarHBondContact O-CA 3.46Å; E131-Q134 WeakPolarHBondContact O-CB 3.36Å; E131-Q134 PolarHBondContact O-N 2.79Å; L132-Q134 PolarHBondContact O-N 2.77Å
135I88.1Confident79.1Confident26 Ų2653.3 Ų53.313%0.13329%0.287CS..Hα-helixtrans-72.1-50.1178.4-68.7166.7000110.2L84 A85 V88 E131 L132L84-I135 HydrophobicContact CD2-CD1 4.38Å; L84-I135 HydrophobicContact CG-CG2 4.46Å; A85-I135 HydrophobicContact CB-CD1 4.09Å; A85-I135 HydrophobicContact CB-CG1 4.19Å; V88-I135 HydrophobicContact CB-CG2 3.94Å; V88-I135 HydrophobicContact CG1-CG2 3.84Å; V88-I135 HydrophobicContact CG2-CG2 3.8Å; E131-I135 WeakPolarHBondContact O-CG1 3.35Å; E131-I135 PolarHBondContact O-N 2.9Å; L132-I135 HydrophobicContact CD2-CD1 4.4Å; L132-I135 PolarHBondContact O-N 3.29Å
136F89.6Confident81.1Confident9 Ų953 Ų534%0.03929%0.286CS..SBendtrans-95.1155.8-175.1-62.6-68.2000113.3L84 V88 P95 V98 L132 C140 I142 M175L84-F136 HydrophobicContact CD1-CZ 4.22Å; L84-F136 HydrophobicContact CD2-CE2 4.28Å; L84-F136 HydrophobicContact CD2-CZ 4.25Å; V88-F136 HydrophobicContact CG1-CE1 4.47Å; V88-F136 HydrophobicContact CG2-CE1 3.89Å; V88-F136 HydrophobicContact CG2-CZ 4.24Å; P95-F136 HydrophobicContact CG-CD1 4.17Å; V98-F136 HydrophobicContact CG1-CE1 4.34Å; V98-F136 HydrophobicContact CG1-CE2 4.23Å; V98-F136 HydrophobicContact CG1-CZ 3.88Å; V98-F136 HydrophobicContact CG2-CD1 3.9Å; V98-F136 HydrophobicContact CG2-CE1 3.79Å; V98-F136 HydrophobicContact CG2-CG 4.32Å; V98-F136 HydrophobicContact CG2-CZ 4.11Å; L132-F136 PolarHBondContact O-N 3.42Å; L132-F136 VanDerWaalsContact O-N 3.14Å; F136-C140 HydrophobicContact CB-CB 4.26Å; F136-I142 HydrophobicContact CB-CD1 4.18Å; F136-I142 HydrophobicContact CD2-CD1 3.58Å; F136-I142 HydrophobicContact CD2-CG1 4.23Å; F136-I142 HydrophobicContact CE2-CD1 4.37Å; F136-I142 HydrophobicContact CG-CD1 4.21Å; F136-M175 HydrophobicContact CE1-CE 4.34Å; F136-M175 HydrophobicContact CE1-CG 4.26Å; F136-M175 HydrophobicContact CE1-SD 4.08Å
137P87.4Confident83Confident44 Ų4447.3 Ų47.329%0.28626%0.257SS..PPolyproline II helixtrans-60.3149.4177.9-2031.5000112.9L94 P95 G139 C140L94-P137 HydrophobicContact CD1-CB 4.21Å; L94-P137 HydrophobicContact CD1-CG 3.73Å; P95-P137 HydrophobicContact CG-CG 4.01Å; P137-G139 PolarHBondContact O-N 3.32Å; P137-C140 WeakPolarHBondContact O-CB 3.33Å; P137-C140 PolarHBondContact O-N 3.18Å; P137-C140 VanDerWaalsContact O-N 3.08Å
138K85.8Confident84.8Confident211 Ų21148.1 Ų48.192%0.91726%0.262SS*.THydrogen-bonded Turntrans-57133.3171.4-66.9-173.1178.1-174.80110.8C140K138-C140 VanDerWaalsContact C-N 3.31Å
139G86.6Confident86.4Confident66 Ų6645.7 Ų45.768%0.6825%0.248SC*.THydrogen-bonded Turntrans75.618.6-177.300000114P137P137-G139 PolarHBondContact O-N 3.32Å
140C92.1Very high87.9Confident14 Ų1444.2 Ų44.210%0.09524%0.235CC..  trans-81.7127.4162.5-173.40000108.9K96 F136 P137 K138K96-C140 WeakPolarHBondContact O-CA 3.37Å; F136-C140 HydrophobicContact CB-CB 4.26Å; P137-C140 WeakPolarHBondContact O-CB 3.33Å; P137-C140 PolarHBondContact O-N 3.18Å; P137-C140 VanDerWaalsContact O-N 3.08Å; K138-C140 VanDerWaalsContact C-N 3.31Å
141D94.4Very high89.3Confident74 Ų7437.8 Ų37.840%0.39621%0.205SC..EExtended strand (participates in β ladder)trans-78.6129172.6-69-42.7000109.3K96 T97 V98 P186K96-D141 PolarHBondContact O-N 3.02Å; T97-D141 CarbonylContact C-O 3.59Å; T97-D141 WeakPolarHBondContact CA-O 3.49Å; T97-D141 HydrophobicContact CG2-CB 4.36Å; V98-D141 PolarHBondContact N-O 3.43Å; D141-P186 HydrophobicContact CB-CG 3.8Å
142I93.8Very high90.4Very high10 Ų1034.5 Ų34.55%0.05119%0.19CC..EExtended strand (participates in β ladder)trans-122.5134.4179.3-53.1163.3000108V98 F136 Y253V98-I142 HydrophobicContact CB-CB 4.49Å; V98-I142 HydrophobicContact CB-CG1 4.2Å; V98-I142 HydrophobicContact CB-CG2 4.31Å; V98-I142 HydrophobicContact CG1-CG2 4.43Å; V98-I142 CarbonylContact O-C 3.42Å; V98-I142 WeakPolarHBondContact O-CA 3.37Å; F136-I142 HydrophobicContact CB-CD1 4.18Å; F136-I142 HydrophobicContact CD2-CD1 3.58Å; F136-I142 HydrophobicContact CD2-CG1 4.23Å; F136-I142 HydrophobicContact CE2-CD1 4.37Å; F136-I142 HydrophobicContact CG-CD1 4.21Å; I142-Y253 HydrophobicContact CB-CD1 3.5Å; I142-Y253 HydrophobicContact CB-CE1 3.52Å; I142-Y253 HydrophobicContact CB-CG 4.36Å; I142-Y253 HydrophobicContact CD1-CE1 4.14Å; I142-Y253 HydrophobicContact CG1-CE1 4.26Å; I142-Y253 HydrophobicContact CG2-CD1 3.74Å; I142-Y253 HydrophobicContact CG2-CE1 4.23Å; I142-Y253 HydrophobicContact CG2-CG 4.16Å; I142-Y253 VanDerWaalsContact O-CD1 3.26Å; I142-Y253 WeakPolarHBondContact O-CD1 3.45Å
143V95.3Very high91.4Very high2 Ų234.4 Ų34.41%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-118.7112.5171.1172.40000107V98 L99 M100 I145 P186 I267 L269V98-V143 PolarHBondContact O-N 2.95Å; L99-V143 HydrophobicContact CD1-CB 4.15Å; L99-V143 HydrophobicContact CD1-CG1 3.87Å; M100-V143 PolarHBondContact N-O 3.25Å; V143-I145 HydrophobicContact CG1-CG2 4.27Å; V143-P186 HydrophobicContact CG2-CB 4.08Å; V143-I267 HydrophobicContact CB-CD1 4.48Å; V143-I267 HydrophobicContact CG1-CD1 3.91Å; V143-I267 HydrophobicContact CG1-CG1 3.95Å; V143-I267 HydrophobicContact CG1-CG2 4.27Å; V143-I267 HydrophobicContact CG2-CD1 4.3Å; V143-I267 HydrophobicContact CG2-CG1 4.37Å; V143-L269 HydrophobicContact CG2-CD2 3.74Å; V143-L269 HydrophobicContact CG2-CG 4.46Å
144G93.4Very high92.1Very high0 Ų032.2 Ų32.20%018%0.18CC..EExtended strand (participates in β ladder)trans-119.3117.1-175.700000111.8M100 V251 F252 Y253M100-G144 WeakPolarHBondContact O-CA 3.48Å; G144-V251 WeakPolarHBondContact O-CA 3.49Å; G144-F252 PolarHBondContact O-N 3.44Å; G144-Y253 PolarHBondContact N-O 3.02Å; G144-Y253 PolarHBondContact O-N 2.79Å
145I92.4Very high92.5Very high0 Ų027.7 Ų27.70%016%0.162CC..EExtended strand (participates in β ladder)trans-127.5154.7-176.669.9-179.4000112.4M100 M101 V102 V143 T147 F216 V248 G250 V251 F252 I267 L348M100-I145 PolarHBondContact O-N 3.12Å; M101-I145 WeakPolarHBondContact CA-O 3.13Å; M101-I145 HydrophobicContact CB-CG1 4.2Å; M101-I145 HydrophobicContact CE-CD1 3.84Å; M101-I145 HydrophobicContact CG-CD1 3.83Å; M101-I145 HydrophobicContact CG-CG1 3.7Å; M101-I145 HydrophobicContact SD-CD1 3.79Å; M101-I145 HydrophobicContact SD-CG1 4.29Å; V102-I145 PolarHBondContact N-O 3.31Å; V143-I145 HydrophobicContact CG1-CG2 4.27Å; I145-T147 HydrophobicContact CD1-CG2 4.25Å; I145-T147 HydrophobicContact CG1-CG2 4.25Å; I145-F216 HydrophobicContact CD1-CB 4.06Å; I145-F216 HydrophobicContact CD1-CD1 3.29Å; I145-F216 HydrophobicContact CD1-CD2 3.64Å; I145-F216 HydrophobicContact CD1-CE1 3.51Å; I145-F216 HydrophobicContact CD1-CE2 3.85Å; I145-F216 HydrophobicContact CD1-CG 3.35Å; I145-F216 HydrophobicContact CD1-CZ 3.78Å; I145-F216 HydrophobicContact CG2-CB 4.18Å; I145-F216 HydrophobicContact CG2-CD2 4.1Å; I145-F216 HydrophobicContact CG2-CG 4.22Å; I145-V248 HydrophobicContact CD1-CG1 4.22Å; I145-G250 WeakPolarHBondContact CA-O 3.22Å; I145-V251 HydrophobicContact CG2-CG2 4.23Å; I145-F252 VanDerWaalsContact N-CE1 3.26Å; I145-F252 VanDerWaalsContact O-CE1 3.24Å; I145-F252 WeakPolarHBondContact O-CE1 3.35Å; I145-I267 HydrophobicContact CG2-CG2 3.79Å; I145-L348 HydrophobicContact CD1-CD2 4.21Å
146A91Very high92.1Very high1 Ų130.3 Ų30.31%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-117.5138.8176.100000112V102 L107 V248 E249 G250V102-A146 HydrophobicContact CG2-CB 4.31Å; V102-A146 VanDerWaalsContact O-CA 3.31Å; V102-A146 WeakPolarHBondContact O-CA 3.26Å; L107-A146 HydrophobicContact CD1-CB 3.11Å; L107-A146 HydrophobicContact CG-CB 4.5Å; A146-V248 WeakPolarHBondContact O-CB 3.5Å; A146-E249 PolarHBondContact O-N 3.05Å; A146-G250 PolarHBondContact N-O 3.36Å; A146-G250 PolarHBondContact O-N 2.94Å
147T92.3Very high91.7Very high0 Ų031.9 Ų31.90%021%0.208CC..EExtended strand (participates in β ladder)trans-137.5156-169.365.80000111V102 D103 C104 I145 G149 I150 V248 L348V102-T147 PolarHBondContact O-N 3.03Å; D103-T147 CarbonylContact C-O 3.55Å; D103-T147 VanDerWaalsContact CA-O 3.22Å; D103-T147 WeakPolarHBondContact CA-O 3.33Å; C104-T147 PolarHBondContact N-O 3.41Å; I145-T147 HydrophobicContact CD1-CG2 4.25Å; I145-T147 HydrophobicContact CG1-CG2 4.25Å; T147-G149 VanDerWaalsContact C-N 3.28Å; T147-G149 PolarHBondContact O-N 3.18Å; T147-G149 PolarHBondContact OG1-O 2.85Å; T147-I150 WeakPolarHBondContact OG1-CD1 2.83Å; T147-V248 HydrophobicContact CG2-CB 4.18Å; T147-V248 HydrophobicContact CG2-CG1 3.9Å; T147-L348 HydrophobicContact CG2-CB 3.68Å; T147-L348 HydrophobicContact CG2-CD2 3.75Å; T147-L348 HydrophobicContact CG2-CG 4.18Å
148P90.8Very high91.5Very high30 Ų3034 Ų3420%0.19521%0.21CC..SBendtrans-59.1-35.7174.8-29.736.9000114.7E249 V318 F349P148-E249 HydrophobicContact CG-CG 4.08Å; P148-E249 WeakPolarHBondContact CG-OE1 3.43Å; P148-V318 HydrophobicContact CB-CG1 3.6Å; P148-V318 HydrophobicContact CG-CG1 3.87Å; P148-F349 WeakPolarHBondContact CD-O 3.47Å
149G93.3Very high91.5Very high1 Ų127.6 Ų27.61%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-149.3168.1175.900000112T147 Y165 L348 F349T147-G149 VanDerWaalsContact C-N 3.28Å; T147-G149 PolarHBondContact O-N 3.18Å; T147-G149 PolarHBondContact OG1-O 2.85Å; G149-Y165 CarbonylContact C-O 3.59Å; G149-Y165 WeakPolarHBondContact CA-O 3.31Å; G149-L348 VanDerWaalsContact O-CA 3.31Å; G149-L348 WeakPolarHBondContact O-CA 3.36Å; G149-F349 PolarHBondContact N-O 3.22Å; G149-F349 PolarHBondContact O-N 2.85Å
150I96.4Very high91.7Very high0 Ų025.1 Ų25.10%016%0.164CC..EExtended strand (participates in β ladder)trans-127.9140.4-171.5-65.2-68.6000110.8M101 D103 T147 L152 Y165 A170 F172M101-I150 HydrophobicContact CB-CD1 3.72Å; D103-I150 HydrophobicContact CB-CG1 4.14Å; T147-I150 WeakPolarHBondContact OG1-CD1 2.83Å; I150-L152 HydrophobicContact CG2-CB 4.15Å; I150-L152 HydrophobicContact CG2-CD2 3.83Å; I150-L152 HydrophobicContact CG2-CG 4.27Å; I150-Y165 PolarHBondContact N-O 3.35Å; I150-Y165 PolarHBondContact O-N 2.8Å; I150-A170 HydrophobicContact CB-CB 4Å; I150-A170 HydrophobicContact CG1-CB 4.38Å; I150-A170 HydrophobicContact CG2-CB 4.25Å; I150-F172 HydrophobicContact CG2-CD1 3.76Å; I150-F172 HydrophobicContact CG2-CE1 4Å
151V97.8Very high91.8Very high0 Ų026.7 Ų26.70%018%0.177CC..EExtended strand (participates in β ladder)trans-112.4127.6165-175.70000107.5K163 E164 F172 M314 A333 L345 F346 G347 F349V151-K163 WeakPolarHBondContact CA-O 3.46Å; V151-E164 HydrophobicContact CG2-CG 4.19Å; V151-F172 WeakPolarHBondContact O-CE1 3.47Å; V151-M314 HydrophobicContact CB-CB 4.45Å; V151-M314 HydrophobicContact CB-SD 4.49Å; V151-M314 HydrophobicContact CG1-CB 4.31Å; V151-M314 HydrophobicContact CG1-SD 4.06Å; V151-M314 HydrophobicContact CG2-CB 4.37Å; V151-M314 HydrophobicContact CG2-CE 4.18Å; V151-M314 HydrophobicContact CG2-CG 4.16Å; V151-M314 HydrophobicContact CG2-SD 3.82Å; V151-A333 HydrophobicContact CG1-CB 4.45Å; V151-L345 HydrophobicContact CG1-CD2 3.9Å; V151-L345 HydrophobicContact CG1-CG 4.02Å; V151-F346 CarbonylContact O-C 3.55Å; V151-F346 VanDerWaalsContact O-CA 3.28Å; V151-F346 WeakPolarHBondContact O-CA 3.45Å; V151-G347 PolarHBondContact N-O 3.02Å; V151-G347 PolarHBondContact O-N 3.44Å; V151-F349 HydrophobicContact CG2-CD2 4.23Å; V151-F349 HydrophobicContact CG2-CE2 3.78Å
152L97.1Very high92Very high3 Ų323.2 Ų23.22%0.01616%0.159CC..EExtended strand (participates in β ladder)trans-145151.6-178.663.780.8000113I150 P162 K163 Y165 A170 F172 L345 F346I150-L152 HydrophobicContact CG2-CB 4.15Å; I150-L152 HydrophobicContact CG2-CD2 3.83Å; I150-L152 HydrophobicContact CG2-CG 4.27Å; L152-P162 CarbonylContact O-C 3.56Å; L152-P162 VanDerWaalsContact O-CA 3.24Å; L152-P162 WeakPolarHBondContact O-CA 3.16Å; L152-K163 PolarHBondContact N-O 3.18Å; L152-K163 PolarHBondContact O-N 3.35Å; L152-Y165 HydrophobicContact CD1-CE2 3.91Å; L152-Y165 HydrophobicContact CD2-CD2 4.21Å; L152-Y165 HydrophobicContact CD2-CE2 4.09Å; L152-Y165 HydrophobicContact CG-CD2 4.1Å; L152-Y165 HydrophobicContact CG-CE2 3.84Å; L152-A170 HydrophobicContact CD2-CB 4.2Å; L152-F172 HydrophobicContact CB-CB 4.38Å; L152-F172 HydrophobicContact CB-CD1 3.97Å; L152-F172 HydrophobicContact CB-CG 4.5Å; L152-L345 CarbonylContact C-O 3.57Å; L152-L345 VanDerWaalsContact C-O 3.3Å; L152-F346 HydrophobicContact CB-CD1 4.33Å
153T97.6Very high92.1Very high0 Ų027.5 Ų27.50%018%0.177CC..PPolyproline II helixtrans-94.9127.4164-58.90000108.9W66 S68 P344 L345W66-T153 HydrophobicContact CZ2-CG2 4Å; W66-T153 PolarHBondContact NE1-O 3.02Å; S68-T153 PolarHBondContact OG-O 3.09Å; T153-P344 HydrophobicContact CG2-CB 3.88Å; T153-P344 WeakPolarHBondContact OG1-CA 3.47Å; T153-L345 PolarHBondContact N-O 2.8Å; T153-L345 PolarHBondContact OG1-N 3.07Å; T153-L345 PolarHBondContact OG1-O 3.05Å
154P94.8Very high92.2Very high42 Ų4228.5 Ų28.527%0.27318%0.182SC..PPolyproline II helixtrans-55.1146.9179.5-27.535.6000113.5W66 S68 A161W66-P154 PolarHBondContact NE1-O 3.23Å; S68-P154 WeakPolarHBondContact OG-CA 3.35Å; P154-A161 WeakPolarHBondContact CD-O 3.22Å
155T91.7Very high92.3Very high49 Ų4930.6 Ų30.630%0.30119%0.19SC..THydrogen-bonded Turntrans-64.4143.5177.9-59.90000110.4V67 S68V67-T155 WeakPolarHBondContact CA-OG1 3.48Å; S68-T155 PolarHBondContact N-OG1 3.15Å; S68-T155 PolarHBondContact O-OG1 2.99Å; S68-T155 PolarHBondContact OG-N 3.01Å; S68-T155 PolarHBondContact OG-OG1 3.16Å
156G81.1Confident92.2Very high80 Ų8033 Ų3383%0.82520%0.201SC*.THydrogen-bonded Turntrans91.6-2.6173.400000115.6
157S80.7Confident91.9Very high42 Ų4240.8 Ų40.829%0.29424%0.237SC..  trans-144.9119.6172.7-171.70000113.7T159 G160S157-T159 PolarHBondContact O-N 3.03Å; S157-T159 PolarHBondContact OG-N 2.96Å; S157-T159 PolarHBondContact OG-OG1 3.25Å; S157-G160 PolarHBondContact O-N 2.92Å; S157-G160 PolarHBondContact OG-N 3.41Å; S157-G160 VanDerWaalsContact OG-N 3.13Å
158W83.9Confident91.3Very high88 Ų8842.3 Ų42.333%0.33325%0.253SS..THydrogen-bonded Turntrans-66.6-20.9170.2-7681.8000113.9L64 W66 P344L64-W158 HydrophobicContact CB-CH2 4.05Å; L64-W158 HydrophobicContact CB-CZ2 4.46Å; L64-W158 HydrophobicContact CD2-CH2 3.68Å; L64-W158 HydrophobicContact CD2-CZ2 4.3Å; L64-W158 HydrophobicContact CD2-CZ3 4.41Å; L64-W158 HydrophobicContact CG-CH2 4.46Å; L64-W158 WeakPolarHBondContact O-CZ2 3.38Å; W66-W158 HydrophobicContact CH2-CB 4.38Å; W66-W158 AromaticContact CH2-CD1 3.98Å; W66-W158 AromaticContact CH2-CD2 3.57Å; W66-W158 HydrophobicContact CH2-CD2 3.57Å; W66-W158 AromaticContact CH2-CE2 3.77Å; W66-W158 AromaticContact CH2-CE3 3.98Å; W66-W158 HydrophobicContact CH2-CE3 3.98Å; W66-W158 AromaticContact CH2-CG 3.76Å; W66-W158 HydrophobicContact CH2-CG 3.76Å; W66-W158 HydrophobicContact CH2-CZ2 4.38Å; W66-W158 HydrophobicContact CH2-CZ3 4.49Å; W66-W158 AromaticContact CH2-NE1 3.98Å; W66-W158 AromaticContact CZ3-CD2 3.74Å; W66-W158 HydrophobicContact CZ3-CD2 3.74Å; W66-W158 AromaticContact CZ3-CE2 3.54Å; W66-W158 HydrophobicContact CZ3-CE3 4Å; W66-W158 HydrophobicContact CZ3-CG 4.35Å; W66-W158 AromaticContact CZ3-CH2 3.93Å; W66-W158 HydrophobicContact CZ3-CH2 3.93Å; W66-W158 AromaticContact CZ3-CZ2 3.7Å; W66-W158 HydrophobicContact CZ3-CZ2 3.7Å; W66-W158 HydrophobicContact CZ3-CZ3 4.06Å; W158-P344 HydrophobicContact CE3-CG 3.83Å; W158-P344 HydrophobicContact CZ3-CG 3.8Å
159T85.9Confident91.1Very high77 Ų7741.2 Ų41.247%0.47225%0.245SC..THydrogen-bonded Turntrans-105.810.1177.357.40000111.7S157 H337S157-T159 PolarHBondContact O-N 3.03Å; S157-T159 PolarHBondContact OG-N 2.96Å; S157-T159 PolarHBondContact OG-OG1 3.25Å; T159-H337 PolarHBondContact O-CE1 3.18Å
160G90.1Very high91Very high15 Ų1541.2 Ų41.216%0.15525%0.245CC..PPolyproline II helixtrans-63.8135.7174.200000110.1S157S157-G160 PolarHBondContact O-N 2.92Å; S157-G160 PolarHBondContact OG-N 3.41Å; S157-G160 VanDerWaalsContact OG-N 3.13Å
161A94.5Very high90.9Very high46 Ų4641.2 Ų41.238%0.3825%0.245SC..PPolyproline II helixtrans-64.2126.3173.500000109.3P154P154-A161 WeakPolarHBondContact CD-O 3.22Å
162P97.5Very high90.8Very high1 Ų141.2 Ų41.21%0.00625%0.245CC..PPolyproline II helixtrans-67.5157.217529.9-34.1000111.1L152 N330 A333 H337 L345L152-P162 CarbonylContact O-C 3.56Å; L152-P162 VanDerWaalsContact O-CA 3.24Å; L152-P162 WeakPolarHBondContact O-CA 3.16Å; P162-N330 PolarHBondContact O-ND2 3.24Å; P162-N330 PolarHBondContact O-OD1 3.06Å; P162-A333 HydrophobicContact CB-CB 4.36Å; P162-A333 HydrophobicContact CG-CB 4.07Å; P162-H337 HydrophobicContact CG-CB 3.97Å; P162-L345 HydrophobicContact CB-CB 3.77Å; P162-L345 HydrophobicContact CB-CD2 4.15Å; P162-L345 HydrophobicContact CB-CG 4.45Å; P162-L345 HydrophobicContact CG-CB 3.98Å; P162-L345 HydrophobicContact CG-CD2 4.03Å
163K97.1Very high90.7Very high101 Ų10141 Ų4144%0.43924%0.244SC..EExtended strand (participates in β ladder)trans-131.4136.3-176.3-68.9-176.9178.9-175.80111.5V151 L152 Y165 N330V151-K163 WeakPolarHBondContact CA-O 3.46Å; L152-K163 PolarHBondContact N-O 3.18Å; L152-K163 PolarHBondContact O-N 3.35Å; K163-Y165 HydrophobicContact CB-CD2 4.09Å; K163-Y165 HydrophobicContact CB-CE2 3.39Å; K163-Y165 HydrophobicContact CD-CE2 4.2Å; K163-Y165 VanDerWaalsContact CD-OH 3.26Å; K163-Y165 WeakPolarHBondContact CD-OH 3.32Å; K163-Y165 HydrophobicContact CG-CE2 4.45Å; K163-N330 VanDerWaalsContact CA-OD1 3.23Å; K163-N330 WeakPolarHBondContact CA-OD1 3.37Å
164E97.4Very high90.7Very high23 Ų2341.1 Ų41.111%0.10724%0.244CC..EExtended strand (participates in β ladder)trans-90.6116.5171.7-68.5170.7-156.900109.8V151 M314 N330 E332 A333 F349V151-E164 HydrophobicContact CG2-CG 4.19Å; E164-M314 HydrophobicContact CG-CE 4.28Å; E164-N330 VanDerWaalsContact CD-CA 3.43Å; E164-N330 PolarHBondContact N-OD1 3.37Å; E164-N330 VanDerWaalsContact OE1-C 3.3Å; E164-N330 WeakPolarHBondContact OE2-CA 3.41Å; E164-N330 PolarHBondContact OE2-N 2.77Å; E164-E332 PolarHBondContact OE1-N 2.74Å; E164-E332 VanDerWaalsContact OE1-N 3.16Å; E164-A333 HydrophobicContact CG-CB 3.78Å; E164-A333 WeakPolarHBondContact OE1-CB 3.36Å; E164-A333 PolarHBondContact OE1-N 2.91Å; E164-F349 HydrophobicContact CB-CE2 3.89Å; E164-F349 HydrophobicContact CB-CZ 3.98Å; E164-F349 HydrophobicContact CG-CE2 4.08Å; E164-F349 HydrophobicContact CG-CZ 3.93Å
165Y94.6Very high90.7Very high44 Ų4439.1 Ų39.117%0.17323%0.231CC..EExtended strand (participates in β ladder)trans-111.192.6174.3-65-90.1000108.7S70 G149 I150 L152 K163 A170S70-Y165 WeakPolarHBondContact CB-OH 3.27Å; S70-Y165 VanDerWaalsContact OG-CZ 3.31Å; S70-Y165 PolarHBondContact OG-OH 3.01Å; G149-Y165 CarbonylContact C-O 3.59Å; G149-Y165 WeakPolarHBondContact CA-O 3.31Å; I150-Y165 PolarHBondContact N-O 3.35Å; I150-Y165 PolarHBondContact O-N 2.8Å; L152-Y165 HydrophobicContact CD1-CE2 3.91Å; L152-Y165 HydrophobicContact CD2-CD2 4.21Å; L152-Y165 HydrophobicContact CD2-CE2 4.09Å; L152-Y165 HydrophobicContact CG-CD2 4.1Å; L152-Y165 HydrophobicContact CG-CE2 3.84Å; K163-Y165 HydrophobicContact CB-CD2 4.09Å; K163-Y165 HydrophobicContact CB-CE2 3.39Å; K163-Y165 HydrophobicContact CD-CE2 4.2Å; K163-Y165 VanDerWaalsContact CD-OH 3.26Å; K163-Y165 WeakPolarHBondContact CD-OH 3.32Å; K163-Y165 HydrophobicContact CG-CE2 4.45Å; Y165-A170 HydrophobicContact CD1-CB 4.18Å; Y165-A170 HydrophobicContact CD2-CB 3.99Å; Y165-A170 HydrophobicContact CG-CB 3.7Å
166Q90.6Very high90.8Very high49 Ų4937.1 Ų37.123%0.22922%0.219CC..SBendtrans-83.9-19.6173.9-66.6179.9-105.500112.4R320 F349Q166-R320 PolarHBondContact NE2-O 2.75Å; Q166-F349 HydrophobicContact CG-CD1 4.12Å; Q166-F349 HydrophobicContact CG-CD2 3.89Å; Q166-F349 HydrophobicContact CG-CE1 3.86Å; Q166-F349 HydrophobicContact CG-CE2 3.62Å; Q166-F349 HydrophobicContact CG-CG 4.13Å; Q166-F349 HydrophobicContact CG-CZ 3.6Å
167E84.1Confident91.4Very high166 Ų16633.8 Ų33.878%0.77618%0.182SC*.SBendtrans-137.9152.2177.5-63.2-174.9-178.200110.1
168G80.4Confident91.8Very high31 Ų3137.1 Ų37.132%0.3220%0.197SC..SBendtrans80.1170.2178.800000113.9A170G168-A170 PolarHBondContact O-N 3.11Å
169E85.9Confident92.1Very high8 Ų834.7 Ų34.74%0.03719%0.192CC..  trans-73126.2-173.8-69.5-173.7-167.100112.3S70 G71 S73 H78 S79 D103 R123S70-E169 CarbonylContact C-O 3.5Å; S70-E169 VanDerWaalsContact CA-O 3.25Å; S70-E169 WeakPolarHBondContact CA-O 3.38Å; G71-E169 PolarHBondContact N-O 3.46Å; G71-E169 WeakPolarHBondContact O-CB 3.41Å; S73-E169 VanDerWaalsContact CB-OE2 3.24Å; S73-E169 WeakPolarHBondContact CB-OE2 3.43Å; S73-E169 PolarHBondContact N-OE2 3.08Å; S73-E169 PolarHBondContact OG-OE1 2.82Å; H78-E169 IonicContact CD2-OE2 3.42Å; S79-E169 WeakPolarHBondContact CB-OE2 3.47Å; S79-E169 PolarHBondContact N-OE2 3.33Å; S79-E169 PolarHBondContact OG-OE2 2.75Å; D103-E169 VanDerWaalsContact OD2-CA 3.23Å; D103-E169 WeakPolarHBondContact OD2-CA 2.9Å; R123-E169 VanDerWaalsContact CD-OE1 3.31Å; R123-E169 WeakPolarHBondContact CD-OE1 3.33Å; R123-E169 IonicContact CZ-OE1 3.16Å; R123-E169 IonicContact NE-OE1 2.73Å; R123-E169 IonicContact NH1-OE1 2.67Å; R123-E169 PolarHBondContact NH1-OE1 3.41Å
170A91.8Very high92.2Very high0 Ų037.1 Ų37.10%020%0.202CC..EExtended strand (participates in β ladder)trans-153.4151.1175.900000111.3A69 H78 D103 I150 L152 Y165 G168A69-A170 WeakPolarHBondContact O-CA 3.44Å; H78-A170 PolarHBondContact CE1-O 2.93Å; D103-A170 PolarHBondContact N-O 2.9Å; D103-A170 PolarHBondContact OD2-N 2.75Å; I150-A170 HydrophobicContact CB-CB 4Å; I150-A170 HydrophobicContact CG1-CB 4.38Å; I150-A170 HydrophobicContact CG2-CB 4.25Å; L152-A170 HydrophobicContact CD2-CB 4.2Å; Y165-A170 HydrophobicContact CD1-CB 4.18Å; Y165-A170 HydrophobicContact CD2-CB 3.99Å; Y165-A170 HydrophobicContact CG-CB 3.7Å; G168-A170 PolarHBondContact O-N 3.11Å
171G93.8Very high92.3Very high0 Ų037.7 Ų37.70%021%0.208CC..EExtended strand (participates in β ladder)trans-171163.5175.600000112.8S68 A69 F80 M101S68-G171 CarbonylContact C-O 3.35Å; S68-G171 VanDerWaalsContact CA-O 3.27Å; S68-G171 WeakPolarHBondContact CA-O 3.47Å; A69-G171 PolarHBondContact N-O 3.06Å; A69-G171 PolarHBondContact O-N 2.83Å; F80-G171 VanDerWaalsContact CD2-C 3.5Å; F80-G171 VanDerWaalsContact CD2-O 3.25Å; F80-G171 WeakPolarHBondContact CD2-O 3.43Å; M101-G171 CarbonylContact O-C 3.57Å; M101-G171 WeakPolarHBondContact O-CA 3.29Å
172F95.9Very high92.3Very high0 Ų035.8 Ų35.80%019%0.192CC..EExtended strand (participates in β ladder)trans-148.1159.7175.667.8-95.5000112.3V67 F80 M100 M101 I150 V151 L152 V174 F346 G347V67-F172 CarbonylContact O-C 3.42Å; V67-F172 WeakPolarHBondContact O-CA 3.49Å; V67-F172 WeakPolarHBondContact O-CB 3.21Å; F80-F172 VanDerWaalsContact CE2-CA 3.48Å; M100-F172 CarbonylContact C-O 3.55Å; M100-F172 VanDerWaalsContact CA-O 3.3Å; M100-F172 WeakPolarHBondContact CA-O 3.28Å; M101-F172 HydrophobicContact CB-CD1 4.29Å; M101-F172 HydrophobicContact CB-CE1 3.72Å; M101-F172 HydrophobicContact CB-CE2 4.26Å; M101-F172 HydrophobicContact CB-CZ 3.71Å; M101-F172 HydrophobicContact CE-CZ 3.98Å; M101-F172 HydrophobicContact CG-CE1 3.99Å; M101-F172 HydrophobicContact CG-CE2 3.9Å; M101-F172 HydrophobicContact CG-CZ 3.44Å; M101-F172 VanDerWaalsContact CG-CZ 3.44Å; M101-F172 PolarHBondContact N-O 2.89Å; M101-F172 PolarHBondContact O-N 2.9Å; M101-F172 HydrophobicContact SD-CE1 3.98Å; M101-F172 HydrophobicContact SD-CE2 4.31Å; M101-F172 HydrophobicContact SD-CZ 3.41Å; M101-F172 WeakPolarHBondContact SD-CZ 3.46Å; I150-F172 HydrophobicContact CG2-CD1 3.76Å; I150-F172 HydrophobicContact CG2-CE1 4Å; V151-F172 WeakPolarHBondContact O-CE1 3.47Å; L152-F172 HydrophobicContact CB-CB 4.38Å; L152-F172 HydrophobicContact CB-CD1 3.97Å; L152-F172 HydrophobicContact CB-CG 4.5Å; F172-V174 HydrophobicContact CD2-CG2 3.9Å; F172-V174 HydrophobicContact CE2-CG2 3.98Å; F172-F346 HydrophobicContact CB-CD1 4.3Å; F172-F346 HydrophobicContact CD1-CD1 4.13Å; F172-F346 HydrophobicContact CD2-CB 4.38Å; F172-F346 AromaticContact CD2-CD1 3.79Å; F172-F346 HydrophobicContact CD2-CD1 3.79Å; F172-F346 HydrophobicContact CD2-CG 4.28Å; F172-F346 HydrophobicContact CE1-CB 4.12Å; F172-F346 HydrophobicContact CE1-CD1 4.39Å; F172-F346 HydrophobicContact CE2-CB 3.81Å; F172-F346 HydrophobicContact CE2-CD1 4.09Å; F172-F346 HydrophobicContact CE2-CG 4.15Å; F172-F346 AromaticContact CG-CD1 3.81Å; F172-F346 HydrophobicContact CG-CD1 3.81Å; F172-F346 HydrophobicContact CG-CE1 4.47Å; F172-F346 HydrophobicContact CZ-CB 3.65Å; F172-F346 HydrophobicContact CZ-CD1 4.37Å; F172-F346 HydrophobicContact CZ-CG 4.38Å; F172-G347 WeakPolarHBondContact CE1-O 3.25Å
173A96.1Very high92.2Very high0 Ų041.1 Ų41.10%022%0.216CC..EExtended strand (participates in β ladder)trans-131.4114.6167.400000109.1W66 V67 F80 L84 V98 L99 M100W66-A173 CarbonylContact C-O 3.54Å; W66-A173 WeakPolarHBondContact CA-O 3.41Å; W66-A173 WeakPolarHBondContact CB-O 3.38Å; V67-A173 PolarHBondContact N-O 3.32Å; V67-A173 PolarHBondContact O-N 2.98Å; F80-A173 HydrophobicContact CE1-CB 4.32Å; F80-A173 HydrophobicContact CZ-CB 3.64Å; F80-A173 VanDerWaalsContact CZ-N 3.3Å; L84-A173 HydrophobicContact CD1-CB 4.03Å; V98-A173 HydrophobicContact CG1-CB 3.97Å; L99-A173 CarbonylContact O-C 3.44Å; L99-A173 WeakPolarHBondContact O-CA 3.38Å; M100-A173 HydrophobicContact CB-CB 4.3Å; M100-A173 HydrophobicContact CG-CB 4.27Å
174V96.8Very high92.2Very high1 Ų137.7 Ų37.71%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-86.5126.7170.4172.40000108.5W66 V98 L99 F172 L176 L311 F346W66-V174 HydrophobicContact CB-CG2 4.26Å; V98-V174 VanDerWaalsContact CA-O 3.29Å; V98-V174 WeakPolarHBondContact CA-O 3.48Å; L99-V174 PolarHBondContact N-O 3.31Å; L99-V174 PolarHBondContact O-N 3.43Å; F172-V174 HydrophobicContact CD2-CG2 3.9Å; F172-V174 HydrophobicContact CE2-CG2 3.98Å; V174-L176 HydrophobicContact CG1-CD2 3.89Å; V174-L176 HydrophobicContact CG1-CG 4.18Å; V174-L311 HydrophobicContact CG1-CD1 3.53Å; V174-L311 HydrophobicContact CG2-CD1 4.4Å; V174-F346 HydrophobicContact CG2-CD1 4.26Å; V174-F346 HydrophobicContact CG2-CD2 3.81Å; V174-F346 HydrophobicContact CG2-CE1 4.47Å; V174-F346 HydrophobicContact CG2-CE2 4.03Å; V174-F346 HydrophobicContact CG2-CG 3.95Å; V174-F346 HydrophobicContact CG2-CZ 4.38Å
175M95.4Very high92.2Very high1 Ų141.5 Ų41.51%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-107.8121.7-179.4-65.3175.3-131.900110.1T65 V67 V88 V91 L93 P95 V98 F136T65-M175 PolarHBondContact N-O 2.93Å; T65-M175 WeakPolarHBondContact O-CA 3.05Å; T65-M175 WeakPolarHBondContact O-CB 3.28Å; T65-M175 PolarHBondContact O-N 3.46Å; V67-M175 HydrophobicContact CB-CE 4.22Å; V67-M175 HydrophobicContact CG2-CE 3.51Å; V88-M175 HydrophobicContact CG2-CE 3.68Å; V88-M175 HydrophobicContact CG2-SD 4.41Å; V91-M175 HydrophobicContact CG1-SD 4.15Å; V91-M175 HydrophobicContact CG2-CE 4.1Å; V91-M175 HydrophobicContact CG2-SD 4.09Å; L93-M175 HydrophobicContact CD2-CB 3.57Å; L93-M175 WeakPolarHBondContact CD2-O 3.32Å; P95-M175 HydrophobicContact CB-CB 4.11Å; P95-M175 HydrophobicContact CB-CG 4.35Å; V98-M175 HydrophobicContact CG2-CG 4.12Å; F136-M175 HydrophobicContact CE1-CE 4.34Å; F136-M175 HydrophobicContact CE1-CG 4.26Å; F136-M175 HydrophobicContact CE1-SD 4.08Å
176L94.1Very high92.3Very high6 Ų641.2 Ų41.23%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-110123.6-175.1-58.9171.2000110.1L64 K96 T97 V174 I184 F387L64-L176 HydrophobicContact CD1-CD2 3.48Å; L64-L176 VanDerWaalsContact CD1-CD2 3.48Å; L64-L176 HydrophobicContact CG-CD2 4.15Å; K96-L176 PolarHBondContact N-O 2.89Å; T97-L176 PolarHBondContact N-O 2.76Å; T97-L176 PolarHBondContact O-N 2.93Å; V174-L176 HydrophobicContact CG1-CD2 3.89Å; V174-L176 HydrophobicContact CG1-CG 4.18Å; L176-I184 HydrophobicContact CB-CD1 3.83Å; L176-I184 HydrophobicContact CD1-CD1 3.72Å; L176-I184 HydrophobicContact CG-CD1 4.3Å; L176-F387 HydrophobicContact CD1-CE1 4Å; L176-F387 HydrophobicContact CD1-CZ 4.38Å; L176-F387 HydrophobicContact CD2-CD1 4.25Å; L176-F387 HydrophobicContact CD2-CE1 3.85Å; L176-F387 HydrophobicContact CD2-CE2 4.39Å; L176-F387 HydrophobicContact CD2-CZ 3.93Å
177P92.3Very high92.6Very high10 Ų1039.5 Ų39.57%0.06521%0.214CC..  trans-66.5170.517315.2-19.7000113Q62 L93 T179Q62-P177 HydrophobicContact CB-CB 4.01Å; Q62-P177 HydrophobicContact CB-CG 4.43Å; Q62-P177 VanDerWaalsContact OE1-CB 3.3Å; L93-P177 HydrophobicContact CD1-CB 3.29Å; L93-P177 HydrophobicContact CD1-CG 3.62Å; P177-T179 PolarHBondContact O-N 2.83Å
178N89.9Confident93.2Very high113 Ų11333.6 Ų33.660%0.60419%0.186SC*.  trans-74.2103.9153.6-168.336.3000109.6K96K96-N178 HydrophobicContact CG-CB 3.73Å
179T89.3Confident93.9Very high36 Ų3632.5 Ų32.522%0.22117%0.173CC..  trans-99.1130.8175.2-570000110.4P177 G181 V182 F387P177-T179 PolarHBondContact O-N 2.83Å; T179-G181 PolarHBondContact O-N 2.78Å; T179-V182 HydrophobicContact CG2-CG2 4.31Å; T179-V182 PolarHBondContact O-N 2.85Å; T179-V182 VanDerWaalsContact O-O 3.13Å; T179-F387 WeakPolarHBondContact CG2-O 3.26Å
180D89.6Confident94.2Very high129 Ų12932.2 Ų32.269%0.6917%0.171SC*.THydrogen-bonded Turntrans-58.3126.9178.1176.259.6000111.6V182 K275D180-V182 VanDerWaalsContact C-N 3.3Å; D180-K275 WeakPolarHBondContact O-CD 3.26Å; D180-K275 WeakPolarHBondContact O-CE 3.24Å; D180-K275 PolarHBondContact O-NZ 3.41Å; D180-K275 IonicContact OD2-NZ 2.99Å; D180-K275 PolarHBondContact OD2-NZ 2.67Å; D180-K275 VanDerWaalsContact OD2-NZ 3.1Å
181G91.5Very high94.1Very high27 Ų2739.5 Ų39.528%0.27820%0.203SC..THydrogen-bonded Turntrans77.59.6-177.200000115.3T179 G273T179-G181 PolarHBondContact O-N 2.78Å; G181-G273 WeakPolarHBondContact O-CA 3.24Å
182V94.4Very high93.9Very high6 Ų647.3 Ų47.34%0.03624%0.237CC..  trans-123.4125.7172.3174.40000109.9T179 D180 I184 K275 V276 F387T179-V182 HydrophobicContact CG2-CG2 4.31Å; T179-V182 PolarHBondContact O-N 2.85Å; T179-V182 VanDerWaalsContact O-O 3.13Å; D180-V182 VanDerWaalsContact C-N 3.3Å; V182-I184 HydrophobicContact CG1-CD1 4.41Å; V182-I184 HydrophobicContact CG1-CG1 4.13Å; V182-K275 HydrophobicContact CG2-CB 3.99Å; V182-V276 HydrophobicContact CB-CG2 4.15Å; V182-V276 HydrophobicContact CG1-CG2 3.7Å; V182-V276 HydrophobicContact CG2-CG2 3.75Å; V182-F387 VanDerWaalsContact CG2-O 3.22Å; V182-F387 WeakPolarHBondContact CG2-O 3.12Å
183H96.3Very high93.7Very high112 Ų11249.7 Ų49.752%0.51925%0.252SS..EExtended strand (participates in β ladder)trans-115.9118.3178.3-61.4-60.5000109.2L271 S272H183-L271 CarbonylContact O-C 3.56Å; H183-L271 WeakPolarHBondContact O-CA 3.41Å; H183-S272 PolarHBondContact N-O 3.42Å; H183-S272 PolarHBondContact O-N 2.98Å
184I96.8Very high93.6Very high29 Ų2950.6 Ų50.615%0.14926%0.256CS..EExtended strand (participates in β ladder)trans-110.8121.3175.2-58.1158.2000106.9T97 L176 V182 L269 L271 F387T97-I184 HydrophobicContact CG2-CG2 3.88Å; L176-I184 HydrophobicContact CB-CD1 3.83Å; L176-I184 HydrophobicContact CD1-CD1 3.72Å; L176-I184 HydrophobicContact CG-CD1 4.3Å; V182-I184 HydrophobicContact CG1-CD1 4.41Å; V182-I184 HydrophobicContact CG1-CG1 4.13Å; I184-L269 HydrophobicContact CG2-CB 4.3Å; I184-L269 HydrophobicContact CG2-CD1 4.33Å; I184-L269 HydrophobicContact CG2-CD2 4.09Å; I184-L269 HydrophobicContact CG2-CG 4.48Å; I184-L271 HydrophobicContact CG1-CG 4.26Å; I184-F387 HydrophobicContact CD1-CD1 4.27Å; I184-F387 HydrophobicContact CD1-CE1 4.24Å
185K96.9Very high93.4Very high104 Ų10452.6 Ų52.645%0.45227%0.27SS..EExtended strand (participates in β ladder)trans-122.2115.7-179.8-173.7163.8-172.3167.60110.3E201 A270K185-E201 VanDerWaalsContact CE-O 3.25Å; K185-E201 WeakPolarHBondContact CE-O 3.46Å; K185-E201 PolarHBondContact NZ-O 2.83Å; K185-A270 PolarHBondContact N-O 3Å; K185-A270 PolarHBondContact O-N 3.16Å
186P96.9Very high93.3Very high38 Ų3856.7 Ų56.725%0.24729%0.292CS..EExtended strand (participates in β ladder)trans-68.7149.917133.9-39.2000110.4D141 V143 G268 L269D141-P186 HydrophobicContact CB-CG 3.8Å; V143-P186 HydrophobicContact CG2-CB 4.08Å; P186-G268 CarbonylContact C-O 3.3Å; P186-G268 VanDerWaalsContact CA-O 3.32Å; P186-G268 WeakPolarHBondContact CA-O 3.39Å; P186-L269 HydrophobicContact CB-CD2 4.06Å
187F96.8Very high93.4Very high12 Ų1261.9 Ų61.95%0.05332%0.316CS..EExtended strand (participates in β ladder)trans-142.3153.2172.365.9-92.4000110.9F189 A202 L204 V213 M215 V266 I267 G268 A270F187-F189 HydrophobicContact CB-CE2 4.28Å; F187-F189 HydrophobicContact CB-CZ 4.19Å; F187-F189 AromaticContact CD2-CD2 3.78Å; F187-F189 HydrophobicContact CD2-CD2 3.78Å; F187-F189 AromaticContact CD2-CE2 3.42Å; F187-F189 HydrophobicContact CD2-CE2 3.42Å; F187-F189 VanDerWaalsContact CD2-CE2 3.42Å; F187-F189 HydrophobicContact CD2-CZ 4.17Å; F187-F189 HydrophobicContact CE2-CD2 4.26Å; F187-F189 HydrophobicContact CE2-CE2 4.05Å; F187-F189 HydrophobicContact CG-CE2 4.11Å; F187-F189 HydrophobicContact CG-CZ 4.48Å; F187-A202 HydrophobicContact CB-CB 3.71Å; F187-A202 HydrophobicContact CG-CB 4.38Å; F187-L204 HydrophobicContact CD1-CD1 4.35Å; F187-L204 HydrophobicContact CD1-CD2 4.3Å; F187-L204 HydrophobicContact CD2-CD1 4.16Å; F187-L204 HydrophobicContact CE1-CD1 4.28Å; F187-L204 HydrophobicContact CE1-CD2 3.96Å; F187-L204 HydrophobicContact CE2-CD1 4.09Å; F187-L204 HydrophobicContact CG-CD1 4.28Å; F187-L204 HydrophobicContact CZ-CD1 4.15Å; F187-L204 HydrophobicContact CZ-CD2 4.37Å; F187-V213 HydrophobicContact CE1-CG1 3.95Å; F187-V213 HydrophobicContact CZ-CG1 3.92Å; F187-M215 HydrophobicContact CZ-CB 4.08Å; F187-V266 HydrophobicContact CE2-CG1 4.29Å; F187-V266 HydrophobicContact CE2-CG2 4.05Å; F187-I267 WeakPolarHBondContact O-CA 3.37Å; F187-I267 WeakPolarHBondContact O-CG1 3.43Å; F187-G268 WeakPolarHBondContact CD1-O 3.23Å; F187-G268 PolarHBondContact N-O 2.9Å; F187-G268 PolarHBondContact O-N 3.43Å; F187-A270 HydrophobicContact CD1-CB 4.32Å; F187-A270 HydrophobicContact CE1-CB 4.48Å
188H96.1Very high93.5Very high42 Ų4262.3 Ų62.319%0.19432%0.32CS..EExtended strand (participates in β ladder)trans-141.8129.9173.4174.9-96.1000109.7Y218 C258 V266 I267H188-Y218 AromaticContact NE2-CE1 3.95Å; H188-Y218 AromaticContact NE2-CZ 3.78Å; H188-Y218 PolarHBondContact NE2-OH 3.17Å; H188-C258 PolarHBondContact CE1-SG 2.62Å; H188-V266 WeakPolarHBondContact CA-O 3.39Å; H188-V266 PolarHBondContact CD2-O 3.27Å; H188-V266 VanDerWaalsContact CD2-O 3.3Å; H188-I267 HydrophobicContact CB-CG1 4.48Å
189F95.3Very high93.8Very high9 Ų957.1 Ų57.14%0.03929%0.292CS..EExtended strand (participates in β ladder)trans-129.1145.1172.5-49.7-61.6000111.4F187 T193 I194 A198 M199 A202 L204 F228 G265 V266F187-F189 HydrophobicContact CB-CE2 4.28Å; F187-F189 HydrophobicContact CB-CZ 4.19Å; F187-F189 AromaticContact CD2-CD2 3.78Å; F187-F189 HydrophobicContact CD2-CD2 3.78Å; F187-F189 AromaticContact CD2-CE2 3.42Å; F187-F189 HydrophobicContact CD2-CE2 3.42Å; F187-F189 VanDerWaalsContact CD2-CE2 3.42Å; F187-F189 HydrophobicContact CD2-CZ 4.17Å; F187-F189 HydrophobicContact CE2-CD2 4.26Å; F187-F189 HydrophobicContact CE2-CE2 4.05Å; F187-F189 HydrophobicContact CG-CE2 4.11Å; F187-F189 HydrophobicContact CG-CZ 4.48Å; F189-T193 WeakPolarHBondContact CA-OG1 3.26Å; F189-I194 HydrophobicContact CB-CB 4.15Å; F189-I194 HydrophobicContact CB-CD1 3.87Å; F189-I194 HydrophobicContact CD1-CD1 4.22Å; F189-I194 HydrophobicContact CD2-CD1 3.86Å; F189-I194 HydrophobicContact CE2-CD1 4.48Å; F189-I194 HydrophobicContact CG-CD1 3.72Å; F189-A198 HydrophobicContact CD1-CB 4.3Å; F189-A198 HydrophobicContact CE1-CB 3.79Å; F189-M199 HydrophobicContact CE2-CG 4.21Å; F189-M199 HydrophobicContact CZ-CG 4.17Å; F189-A202 HydrophobicContact CE1-CB 4.49Å; F189-A202 HydrophobicContact CE2-CB 4.47Å; F189-A202 HydrophobicContact CZ-CB 3.65Å; F189-L204 HydrophobicContact CE2-CD1 3.6Å; F189-L204 HydrophobicContact CZ-CD1 4.17Å; F189-F228 HydrophobicContact CB-CZ 4.39Å; F189-G265 CarbonylContact O-C 3.47Å; F189-G265 WeakPolarHBondContact O-CA 3.42Å; F189-V266 HydrophobicContact CB-CG1 3.85Å; F189-V266 HydrophobicContact CD2-CG1 3.74Å; F189-V266 HydrophobicContact CG-CG1 4.29Å; F189-V266 PolarHBondContact N-O 3.37Å; F189-V266 PolarHBondContact O-N 3.03Å
190C93.1Very high94.1Very high1 Ų159.7 Ų59.71%0.00730%0.301CS..EExtended strand (participates in β ladder)trans-134.3178.1167.771.40000108.5K192 T193 I194 C259C190-K192 PolarHBondContact O-N 2.75Å; C190-K192 PolarHBondContact SG-N 2.86Å; C190-T193 PolarHBondContact N-OG1 2.79Å; C190-T193 PolarHBondContact O-N 2.95Å; C190-T193 PolarHBondContact SG-OG1 2.82Å; C190-T193 VanDerWaalsContact SG-OG1 3.37Å; C190-I194 WeakPolarHBondContact O-CG2 3.26Å; C190-I194 PolarHBondContact O-N 3.49Å; C190-C259 HydrophobicContact CB-CB 3.92Å
191K88.8Confident94.4Very high153 Ų15360.4 Ų60.467%0.66530%0.3SS*.THydrogen-bonded Turntrans-47.3-33.3177.2-171.1-176.5-177.9179.30114.3Y264K191-Y264 HydrophobicContact CB-CE2 3.91Å; K191-Y264 WeakPolarHBondContact CD-OH 3.24Å; K191-Y264 HydrophobicContact CG-CE2 4.45Å
192K88.8Confident94.6Very high165 Ų16559.5 Ų59.572%0.71729%0.29SS*.THydrogen-bonded Turntrans-86.6-24.7-177.6-62.7-174.6-175175.30114.1C190C190-K192 PolarHBondContact O-N 2.75Å; C190-K192 PolarHBondContact SG-N 2.86Å
193T92.8Very high94.7Very high50 Ų5059.9 Ų59.931%0.30729%0.294SS..THydrogen-bonded Turntrans-109.6-12.3-170.656.40000113.1F189 C190 S195 A198 C258F189-T193 WeakPolarHBondContact CA-OG1 3.26Å; C190-T193 PolarHBondContact N-OG1 2.79Å; C190-T193 PolarHBondContact O-N 2.95Å; C190-T193 PolarHBondContact SG-OG1 2.82Å; C190-T193 VanDerWaalsContact SG-OG1 3.37Å; T193-S195 PolarHBondContact O-N 2.98Å; T193-A198 WeakPolarHBondContact O-CB 3.25Å; T193-C258 HydrophobicContact CG2-CB 3.8Å
194I93.4Very high94.6Very high19 Ų1954.8 Ų54.810%0.09727%0.271CS..  trans-71.8118.4177.2-170.663.7000110.8F189 C190 M199 F228 Q231 I232F189-I194 HydrophobicContact CB-CB 4.15Å; F189-I194 HydrophobicContact CB-CD1 3.87Å; F189-I194 HydrophobicContact CD1-CD1 4.22Å; F189-I194 HydrophobicContact CD2-CD1 3.86Å; F189-I194 HydrophobicContact CE2-CD1 4.48Å; F189-I194 HydrophobicContact CG-CD1 3.72Å; C190-I194 WeakPolarHBondContact O-CG2 3.26Å; C190-I194 PolarHBondContact O-N 3.49Å; I194-M199 HydrophobicContact CD1-CG 3.83Å; I194-M199 HydrophobicContact CD1-SD 3.9Å; I194-F228 HydrophobicContact CB-CE2 3.98Å; I194-F228 HydrophobicContact CG1-CE2 4.37Å; I194-F228 HydrophobicContact CG2-CD2 4.04Å; I194-F228 HydrophobicContact CG2-CE2 3.86Å; I194-Q231 HydrophobicContact CG1-CG 4.33Å; I194-I232 HydrophobicContact CD1-CD1 4.39Å; I194-I232 HydrophobicContact CD1-CG1 3.77Å; I194-I232 HydrophobicContact CG1-CG1 4.31Å
195S93.9Very high94.5Very high42 Ų4254.5 Ų54.529%0.29427%0.271SS..  trans-149.1165.7167.782.30000109.4T193 E197 A198 M199T193-S195 PolarHBondContact O-N 2.98Å; S195-E197 VanDerWaalsContact C-N 3.28Å; S195-E197 WeakPolarHBondContact CB-OE2 3.35Å; S195-E197 PolarHBondContact O-N 3.04Å; S195-E197 PolarHBondContact OG-N 2.81Å; S195-E197 PolarHBondContact OG-OE2 2.86Å; S195-E197 VanDerWaalsContact OG-OE2 3.07Å; S195-A198 PolarHBondContact O-N 2.83Å; S195-A198 PolarHBondContact OG-N 2.76Å; S195-A198 VanDerWaalsContact OG-N 3.1Å; S195-M199 WeakPolarHBondContact O-CG 3.3Å; S195-M199 PolarHBondContact O-N 2.89Å
196L92.5Very high94.3Very high88 Ų8855.2 Ų55.246%0.46128%0.279SS..Hα-helixtrans-61.2-40.6176-176.764.6000111M199 K200 V205L196-M199 PolarHBondContact O-N 2.88Å; L196-K200 WeakPolarHBondContact O-CG 3.36Å; L196-K200 PolarHBondContact O-N 2.92Å; L196-V205 HydrophobicContact CD1-CG1 4.06Å; L196-V205 HydrophobicContact CD1-CG2 4.4Å
197E95.1Very high94.1Very high115 Ų11555.6 Ų55.654%0.53728%0.279SS..Hα-helixtrans-61.3-45.9176.7-62.469.2-15000111.1S195 M199 K200 E201S195-E197 VanDerWaalsContact C-N 3.28Å; S195-E197 WeakPolarHBondContact CB-OE2 3.35Å; S195-E197 PolarHBondContact O-N 3.04Å; S195-E197 PolarHBondContact OG-N 2.81Å; S195-E197 PolarHBondContact OG-OE2 2.86Å; S195-E197 VanDerWaalsContact OG-OE2 3.07Å; E197-M199 VanDerWaalsContact C-N 3.29Å; E197-M199 PolarHBondContact O-N 2.95Å; E197-K200 WeakPolarHBondContact O-CB 3.25Å; E197-K200 PolarHBondContact O-N 2.62Å; E197-K200 VanDerWaalsContact O-N 3.15Å; E197-E201 WeakPolarHBondContact O-CG 3.44Å; E197-E201 PolarHBondContact O-N 3.14Å
198A95.4Very high93.9Very high19 Ų1960.4 Ų60.416%0.15731%0.312CS..Hα-helixtrans-63-36.3177.400000111.9F189 T193 S195 E201 A202F189-A198 HydrophobicContact CD1-CB 4.3Å; F189-A198 HydrophobicContact CE1-CB 3.79Å; T193-A198 WeakPolarHBondContact O-CB 3.25Å; S195-A198 PolarHBondContact O-N 2.83Å; S195-A198 PolarHBondContact OG-N 2.76Å; S195-A198 VanDerWaalsContact OG-N 3.1Å; A198-E201 PolarHBondContact O-N 3.24Å; A198-A202 WeakPolarHBondContact O-CB 3.38Å; A198-A202 PolarHBondContact O-N 3.49Å
199M95.9Very high93.8Very high4 Ų461.7 Ų61.72%0.0232%0.318CS..Hα-helixtrans-68.3-38.1174-67.5-179.180.900112.5F189 I194 S195 L196 E197 A202 G203 L204 V205 P235F189-M199 HydrophobicContact CE2-CG 4.21Å; F189-M199 HydrophobicContact CZ-CG 4.17Å; I194-M199 HydrophobicContact CD1-CG 3.83Å; I194-M199 HydrophobicContact CD1-SD 3.9Å; S195-M199 WeakPolarHBondContact O-CG 3.3Å; S195-M199 PolarHBondContact O-N 2.89Å; L196-M199 PolarHBondContact O-N 2.88Å; E197-M199 VanDerWaalsContact C-N 3.29Å; E197-M199 PolarHBondContact O-N 2.95Å; M199-A202 PolarHBondContact O-N 3.36Å; M199-G203 PolarHBondContact O-N 3Å; M199-L204 HydrophobicContact CB-CB 4.44Å; M199-L204 HydrophobicContact CE-CD1 4.5Å; M199-L204 WeakPolarHBondContact O-CB 3.17Å; M199-L204 PolarHBondContact O-N 2.92Å; M199-V205 HydrophobicContact CB-CG2 3.9Å; M199-V205 HydrophobicContact CE-CG2 4.3Å; M199-P235 HydrophobicContact CE-CB 4.25Å; M199-P235 HydrophobicContact CE-CG 4.02Å; M199-P235 HydrophobicContact SD-CG 4.44Å
200K95.5Very high93.8Very high90 Ų9061.7 Ų61.739%0.39132%0.318SS..Hα-helixtrans-64.7-44.9172.6-69.6-178.1-166-150.60111.3L196 E197 A202 G203 V205 D206L196-K200 WeakPolarHBondContact O-CG 3.36Å; L196-K200 PolarHBondContact O-N 2.92Å; E197-K200 WeakPolarHBondContact O-CB 3.25Å; E197-K200 PolarHBondContact O-N 2.62Å; E197-K200 VanDerWaalsContact O-N 3.15Å; K200-A202 VanDerWaalsContact C-N 3.3Å; K200-A202 PolarHBondContact O-N 2.91Å; K200-G203 WeakPolarHBondContact O-CA 3.32Å; K200-G203 PolarHBondContact O-N 3.44Å; K200-V205 HydrophobicContact CG-CB 3.95Å; K200-V205 HydrophobicContact CG-CG1 4.07Å; K200-D206 WeakPolarHBondContact CD-OD2 3.36Å; K200-D206 WeakPolarHBondContact CE-OD2 3.47Å; K200-D206 IonicContact NZ-OD2 2.73Å; K200-D206 PolarHBondContact NZ-OD2 3.4Å
201E95.9Very high93.9Very high144 Ų14465.7 Ų65.767%0.67333%0.333SS*.Hα-helixtrans-59.7-41.9175.8-75.1179.6-174.300111.2K185 E197 A198 G203K185-E201 VanDerWaalsContact CE-O 3.25Å; K185-E201 WeakPolarHBondContact CE-O 3.46Å; K185-E201 PolarHBondContact NZ-O 2.83Å; E197-E201 WeakPolarHBondContact O-CG 3.44Å; E197-E201 PolarHBondContact O-N 3.14Å; A198-E201 PolarHBondContact O-N 3.24Å; E201-G203 PolarHBondContact O-N 3.36Å; E201-G203 VanDerWaalsContact O-N 3.17Å
202A96.1Very high94.3Very high8 Ų858.4 Ų58.47%0.06630%0.302CS..THydrogen-bonded Turntrans-66.9-8.4173.200000114.3F187 F189 A198 M199 K200 L204F187-A202 HydrophobicContact CB-CB 3.71Å; F187-A202 HydrophobicContact CG-CB 4.38Å; F189-A202 HydrophobicContact CE1-CB 4.49Å; F189-A202 HydrophobicContact CE2-CB 4.47Å; F189-A202 HydrophobicContact CZ-CB 3.65Å; A198-A202 WeakPolarHBondContact O-CB 3.38Å; A198-A202 PolarHBondContact O-N 3.49Å; M199-A202 PolarHBondContact O-N 3.36Å; K200-A202 VanDerWaalsContact C-N 3.3Å; K200-A202 PolarHBondContact O-N 2.91Å; A202-L204 VanDerWaalsContact C-N 3.32Å; A202-L204 HydrophobicContact CB-CD1 4.28Å; A202-L204 HydrophobicContact CB-CG 4.08Å
203G95.8Very high94.7Very high13 Ų1350.6 Ų50.613%0.13427%0.267CS..THydrogen-bonded Turntrans7618.8-178.500000113.8M199 K200 E201 N207M199-G203 PolarHBondContact O-N 3Å; K200-G203 WeakPolarHBondContact O-CA 3.32Å; K200-G203 PolarHBondContact O-N 3.44Å; E201-G203 PolarHBondContact O-N 3.36Å; E201-G203 VanDerWaalsContact O-N 3.17Å; G203-N207 VanDerWaalsContact O-CB 3.25Å; G203-N207 WeakPolarHBondContact O-CB 3.47Å; G203-N207 PolarHBondContact O-ND2 2.87Å
204L95.8Very high95Very high5 Ų548.4 Ų48.43%0.02625%0.254CS..SBendtrans-85.5-24.7178.8-64.1179.8000112.8F187 F189 M199 A202 V213 L236 A270F187-L204 HydrophobicContact CD1-CD1 4.35Å; F187-L204 HydrophobicContact CD1-CD2 4.3Å; F187-L204 HydrophobicContact CD2-CD1 4.16Å; F187-L204 HydrophobicContact CE1-CD1 4.28Å; F187-L204 HydrophobicContact CE1-CD2 3.96Å; F187-L204 HydrophobicContact CE2-CD1 4.09Å; F187-L204 HydrophobicContact CG-CD1 4.28Å; F187-L204 HydrophobicContact CZ-CD1 4.15Å; F187-L204 HydrophobicContact CZ-CD2 4.37Å; F189-L204 HydrophobicContact CE2-CD1 3.6Å; F189-L204 HydrophobicContact CZ-CD1 4.17Å; M199-L204 HydrophobicContact CB-CB 4.44Å; M199-L204 HydrophobicContact CE-CD1 4.5Å; M199-L204 WeakPolarHBondContact O-CB 3.17Å; M199-L204 PolarHBondContact O-N 2.92Å; A202-L204 VanDerWaalsContact C-N 3.32Å; A202-L204 HydrophobicContact CB-CD1 4.28Å; A202-L204 HydrophobicContact CB-CG 4.08Å; L204-V213 HydrophobicContact CD2-CB 4.47Å; L204-V213 HydrophobicContact CD2-CG1 3.83Å; L204-V213 HydrophobicContact CD2-CG2 3.71Å; L204-L236 HydrophobicContact CB-CD2 4.2Å; L204-L236 HydrophobicContact CD2-CD2 4.49Å; L204-A270 HydrophobicContact CD2-CB 3.8Å
205V93.5Very high95.1Very high24 Ų2447.5 Ų47.515%0.14525%0.249CC..SBendtrans-126.8149.4-179.2179.80000109L196 M199 K200 N207 P235L196-V205 HydrophobicContact CD1-CG1 4.06Å; L196-V205 HydrophobicContact CD1-CG2 4.4Å; M199-V205 HydrophobicContact CB-CG2 3.9Å; M199-V205 HydrophobicContact CE-CG2 4.3Å; K200-V205 HydrophobicContact CG-CB 3.95Å; K200-V205 HydrophobicContact CG-CG1 4.07Å; V205-N207 PolarHBondContact O-N 2.98Å; V205-N207 VanDerWaalsContact O-N 3.13Å; V205-P235 HydrophobicContact CG2-CB 3.98Å
206D92.1Very high95.3Very high118 Ų11845.5 Ų45.563%0.63124%0.235SC*.SBendtrans55.326.5-178.6-60.7-18.4000114.3K200 P208K200-D206 WeakPolarHBondContact CD-OD2 3.36Å; K200-D206 WeakPolarHBondContact CE-OD2 3.47Å; K200-D206 IonicContact NZ-OD2 2.73Å; K200-D206 PolarHBondContact NZ-OD2 3.4Å; D206-P208 WeakPolarHBondContact O-CD 3.39Å
207N94Very high95.4Very high46 Ų4641.3 Ų41.325%0.24621%0.214CC..  trans-11398.3179.4-179.22.2000110.7G203 V205 E209 L210 S272G203-N207 VanDerWaalsContact O-CB 3.25Å; G203-N207 WeakPolarHBondContact O-CB 3.47Å; G203-N207 PolarHBondContact O-ND2 2.87Å; V205-N207 PolarHBondContact O-N 2.98Å; V205-N207 VanDerWaalsContact O-N 3.13Å; N207-E209 PolarHBondContact O-N 2.99Å; N207-E209 PolarHBondContact OD1-N 2.8Å; N207-L210 HydrophobicContact CB-CB 4.12Å; N207-L210 WeakPolarHBondContact O-CB 3.26Å; N207-L210 PolarHBondContact O-N 2.92Å; N207-L210 PolarHBondContact OD1-N 2.99Å; N207-S272 PolarHBondContact ND2-OG 2.73Å
208P92.1Very high95.3Very high113 Ų11335.9 Ų35.973%0.73419%0.188SC*.THydrogen-bonded Turntrans-68.8-16.8-179.228.9-35.3000113.4D206 R211D206-P208 WeakPolarHBondContact O-CD 3.39Å; P208-R211 PolarHBondContact O-NH1 3.09Å
209E93.9Very high95Very high70 Ų7036 Ų3633%0.32719%0.186SC..THydrogen-bonded Turntrans-93.2-1.4177.4-61.7-156.7127.800113.1N207 R211 S272 G273 R274N207-E209 PolarHBondContact O-N 2.99Å; N207-E209 PolarHBondContact OD1-N 2.8Å; E209-R211 WeakPolarHBondContact O-CG 3.23Å; E209-R211 PolarHBondContact O-N 3.09Å; E209-S272 CarbonylContact O-C 3.56Å; E209-S272 WeakPolarHBondContact O-CA 3.23Å; E209-S272 WeakPolarHBondContact O-CB 3.23Å; E209-G273 PolarHBondContact O-N 3.36Å; E209-R274 IonicContact OE1-NE 2.78Å
210L95.4Very high94.5Very high9 Ų936.5 Ų36.55%0.04719%0.19CC..EExtended strand (participates in β ladder)trans-61.6131.7173.4-173.265.1000109.8N207 V213 A241 A270N207-L210 HydrophobicContact CB-CB 4.12Å; N207-L210 WeakPolarHBondContact O-CB 3.26Å; N207-L210 PolarHBondContact O-N 2.92Å; N207-L210 PolarHBondContact OD1-N 2.99Å; L210-V213 HydrophobicContact CD1-CG2 3.98Å; L210-V213 HydrophobicContact CD2-CG2 3.93Å; L210-V213 HydrophobicContact CG-CG2 4.26Å; L210-A241 HydrophobicContact CB-CB 4.42Å; L210-A241 HydrophobicContact CD2-CB 3.77Å; L210-A241 HydrophobicContact CG-CB 3.66Å; L210-A270 HydrophobicContact CD1-CB 4.09Å
211R95.3Very high93.9Very high85 Ų8540 Ų4032%0.32120%0.202SC..EExtended strand (participates in β ladder)trans-126.8-41.2-177.4-66.9-63.5179.4-106.33.8113P208 E209 A241 L242 L271 V276P208-R211 PolarHBondContact O-NH1 3.09Å; E209-R211 WeakPolarHBondContact O-CG 3.23Å; E209-R211 PolarHBondContact O-N 3.09Å; R211-A241 CarbonylContact O-C 3.38Å; R211-A241 WeakPolarHBondContact O-CA 3.17Å; R211-L242 PolarHBondContact O-N 3.18Å; R211-L271 PolarHBondContact N-O 3.47Å; R211-V276 HydrophobicContact CB-CB 3.85Å; R211-V276 HydrophobicContact CB-CG1 3.67Å; R211-V276 HydrophobicContact CG-CB 4.06Å; R211-V276 HydrophobicContact CG-CG1 4.44Å; R211-V276 WeakPolarHBondContact CG-O 3.35Å
212V96.8Very high93.5Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-138.7140.1179.9-173.90000110V214 L242 L271 V276 V385V212-V214 HydrophobicContact CG1-CG2 4.09Å; V212-L242 CarbonylContact C-O 3.52Å; V212-L242 VanDerWaalsContact CA-O 3.28Å; V212-L242 WeakPolarHBondContact CA-O 3.38Å; V212-L242 HydrophobicContact CB-CB 4.5Å; V212-L242 HydrophobicContact CG1-CB 4.36Å; V212-L242 HydrophobicContact CG1-CD2 3.93Å; V212-L242 HydrophobicContact CG1-CG 4.24Å; V212-L242 HydrophobicContact CG2-CB 4.17Å; V212-L242 HydrophobicContact CG2-CD2 4.09Å; V212-L271 HydrophobicContact CB-CB 4.12Å; V212-L271 HydrophobicContact CB-CD1 4.31Å; V212-L271 HydrophobicContact CG1-CD1 4.45Å; V212-L271 PolarHBondContact N-O 2.66Å; V212-L271 VanDerWaalsContact N-O 3.11Å; V212-L271 PolarHBondContact O-N 3.17Å; V212-V276 HydrophobicContact CG2-CG1 3.91Å; V212-V385 HydrophobicContact CG1-CG2 3.94Å; V212-V385 HydrophobicContact CG2-CG1 4.3Å
213V97.8Very high93.1Very high0 Ų041.4 Ų41.40%022%0.22CC..EExtended strand (participates in β ladder)trans-123.7117168.3-174.90000107.7F187 L204 L210 M215 L236 L242 I243 A244 L269F187-V213 HydrophobicContact CE1-CG1 3.95Å; F187-V213 HydrophobicContact CZ-CG1 3.92Å; L204-V213 HydrophobicContact CD2-CB 4.47Å; L204-V213 HydrophobicContact CD2-CG1 3.83Å; L204-V213 HydrophobicContact CD2-CG2 3.71Å; L210-V213 HydrophobicContact CD1-CG2 3.98Å; L210-V213 HydrophobicContact CD2-CG2 3.93Å; L210-V213 HydrophobicContact CG-CG2 4.26Å; V213-M215 HydrophobicContact CB-CE 4.32Å; V213-M215 HydrophobicContact CG1-CB 4.47Å; V213-M215 HydrophobicContact CG1-CE 3.48Å; V213-M215 VanDerWaalsContact CG1-CE 3.48Å; V213-L236 HydrophobicContact CG2-CD2 4.39Å; V213-L242 PolarHBondContact N-O 2.98Å; V213-I243 HydrophobicContact CB-CD1 3.72Å; V213-I243 HydrophobicContact CG2-CD1 3.7Å; V213-A244 PolarHBondContact O-N 3.08Å; V213-L269 WeakPolarHBondContact CA-O 3.24Å
214V98Very high92.7Very high4 Ų442 Ų422%0.02423%0.225CC..EExtended strand (participates in β ladder)trans-102.1120.4170.2-177.30000107.8V212 F216 A244 G268 L269 L271 F315V212-V214 HydrophobicContact CG1-CG2 4.09Å; V214-F216 HydrophobicContact CG1-CE1 4.29Å; V214-F216 HydrophobicContact CG1-CE2 3.82Å; V214-F216 HydrophobicContact CG1-CZ 3.46Å; V214-F216 VanDerWaalsContact CG1-CZ 3.46Å; V214-A244 CarbonylContact C-O 3.58Å; V214-A244 VanDerWaalsContact CA-O 3.26Å; V214-A244 WeakPolarHBondContact CA-O 3.46Å; V214-G268 CarbonylContact O-C 3.48Å; V214-G268 WeakPolarHBondContact O-CA 3.49Å; V214-L269 PolarHBondContact N-O 2.73Å; V214-L269 PolarHBondContact O-N 2.72Å; V214-L271 HydrophobicContact CG2-CD1 4.44Å; V214-F315 HydrophobicContact CG1-CZ 3.89Å
215M97.3Very high92.3Very high0 Ų041.7 Ų41.70%022%0.224CC..EExtended strand (participates in β ladder)trans-135.8150.4-174.374178.268.200114.2F187 V213 I217 I232 L233 L236 I243 A244 G245 G246 V266 I267 I354F187-M215 HydrophobicContact CZ-CB 4.08Å; V213-M215 HydrophobicContact CB-CE 4.32Å; V213-M215 HydrophobicContact CG1-CB 4.47Å; V213-M215 HydrophobicContact CG1-CE 3.48Å; V213-M215 VanDerWaalsContact CG1-CE 3.48Å; M215-I217 HydrophobicContact SD-CD1 4.32Å; M215-I232 HydrophobicContact SD-CG2 4.46Å; M215-L233 HydrophobicContact CE-CD2 4.38Å; M215-L233 HydrophobicContact SD-CD2 3.82Å; M215-L236 HydrophobicContact CE-CD1 3.36Å; M215-I243 HydrophobicContact CE-CG2 3.55Å; M215-I243 HydrophobicContact SD-CG2 4.44Å; M215-A244 PolarHBondContact N-O 3.2Å; M215-G245 WeakPolarHBondContact O-CA 3.27Å; M215-G246 PolarHBondContact O-N 2.92Å; M215-V266 HydrophobicContact CB-CG2 3.9Å; M215-V266 HydrophobicContact CG-CG2 4.45Å; M215-V266 HydrophobicContact SD-CG2 4.4Å; M215-I267 CarbonylContact C-O 3.51Å; M215-I267 WeakPolarHBondContact CA-O 3.48Å; M215-I354 HydrophobicContact CG-CD1 4.07Å; M215-I354 HydrophobicContact CG-CG2 4.38Å; M215-I354 HydrophobicContact SD-CD1 4.27Å; M215-I354 HydrophobicContact SD-CG2 4.25Å
216F97.3Very high92.1Very high0 Ų043.9 Ų43.90%024%0.244CC..EExtended strand (participates in β ladder)trans-133.1121.6-176.5-52.4-72.4000109.2L99 M101 I145 V214 G246 V248 V266 I267 F315 L348L99-F216 HydrophobicContact CD1-CE2 3.78Å; L99-F216 HydrophobicContact CD1-CZ 4.24Å; L99-F216 HydrophobicContact CD2-CZ 4.44Å; M101-F216 HydrophobicContact CE-CE1 3.62Å; M101-F216 HydrophobicContact CE-CE2 4.16Å; M101-F216 HydrophobicContact CE-CZ 3.27Å; I145-F216 HydrophobicContact CD1-CB 4.06Å; I145-F216 HydrophobicContact CD1-CD1 3.29Å; I145-F216 HydrophobicContact CD1-CD2 3.64Å; I145-F216 HydrophobicContact CD1-CE1 3.51Å; I145-F216 HydrophobicContact CD1-CE2 3.85Å; I145-F216 HydrophobicContact CD1-CG 3.35Å; I145-F216 HydrophobicContact CD1-CZ 3.78Å; I145-F216 HydrophobicContact CG2-CB 4.18Å; I145-F216 HydrophobicContact CG2-CD2 4.1Å; I145-F216 HydrophobicContact CG2-CG 4.22Å; V214-F216 HydrophobicContact CG1-CE1 4.29Å; V214-F216 HydrophobicContact CG1-CE2 3.82Å; V214-F216 HydrophobicContact CG1-CZ 3.46Å; V214-F216 VanDerWaalsContact CG1-CZ 3.46Å; F216-G246 WeakPolarHBondContact CA-O 3.28Å; F216-V248 HydrophobicContact CB-CG1 3.98Å; F216-V248 HydrophobicContact CB-CG2 3.98Å; F216-V248 HydrophobicContact CD1-CG1 3.94Å; F216-V248 HydrophobicContact CG-CG1 4.37Å; F216-V266 WeakPolarHBondContact O-CA 3.4Å; F216-I267 HydrophobicContact CB-CG2 4.06Å; F216-I267 HydrophobicContact CD2-CG2 4.37Å; F216-I267 PolarHBondContact N-O 3.1Å; F216-I267 PolarHBondContact O-N 3.19Å; F216-F315 HydrophobicContact CE1-CD1 4.34Å; F216-F315 AromaticContact CE1-CE1 3.7Å; F216-F315 HydrophobicContact CE1-CE1 3.7Å; F216-F315 HydrophobicContact CE1-CZ 4.47Å; F216-F315 HydrophobicContact CZ-CE1 4.17Å; F216-L348 HydrophobicContact CD1-CD2 3.83Å; F216-L348 HydrophobicContact CE1-CD2 3.67Å
217I95.3Very high92.1Very high1 Ų147.5 Ų47.51%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-109.8128.6-173.9-50.1-169.8000108.2M215 A220 L229 G246 L247 V248 G265 V266 I354M215-I217 HydrophobicContact SD-CD1 4.32Å; I217-A220 HydrophobicContact CG2-CB 3.83Å; I217-L229 HydrophobicContact CB-CD2 4.26Å; I217-L229 HydrophobicContact CD1-CD2 3.1Å; I217-L229 HydrophobicContact CG1-CD2 4.18Å; I217-L229 HydrophobicContact CG2-CD2 3.6Å; I217-G246 PolarHBondContact N-O 2.94Å; I217-L247 CarbonylContact O-C 3.53Å; I217-L247 VanDerWaalsContact O-CA 3.27Å; I217-L247 WeakPolarHBondContact O-CA 3.04Å; I217-V248 PolarHBondContact O-N 3.33Å; I217-G265 WeakPolarHBondContact CG2-O 3.37Å; I217-V266 HydrophobicContact CD1-CG2 4.47Å; I217-V266 HydrophobicContact CG1-CB 4.21Å; I217-V266 HydrophobicContact CG1-CG2 3.89Å; I217-I354 HydrophobicContact CB-CD1 4.44Å; I217-I354 HydrophobicContact CD1-CD1 3.25Å; I217-I354 HydrophobicContact CG1-CD1 3.54Å
218Y92.7Very high92Very high1 Ų145.6 Ų45.60%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-117.7148.8-17959.2-92.1000109.9H188 A220 V251 R256 S263 G265H188-Y218 AromaticContact NE2-CE1 3.95Å; H188-Y218 AromaticContact NE2-CZ 3.78Å; H188-Y218 PolarHBondContact NE2-OH 3.17Å; Y218-A220 PolarHBondContact O-N 2.86Å; Y218-A220 VanDerWaalsContact O-N 3.09Å; Y218-V251 HydrophobicContact CD1-CB 4.34Å; Y218-V251 HydrophobicContact CD1-CG2 3.29Å; Y218-V251 HydrophobicContact CE1-CB 4.36Å; Y218-V251 HydrophobicContact CE1-CG2 3.57Å; Y218-V251 HydrophobicContact CG-CG2 4.11Å; Y218-R256 VanDerWaalsContact CZ-NH1 3.26Å; Y218-R256 PolarHBondContact OH-NH1 2.89Å; Y218-S263 WeakPolarHBondContact CE2-O 3.22Å; Y218-G265 WeakPolarHBondContact CD1-O 3.38Å; Y218-G265 WeakPolarHBondContact CE1-O 3.34Å; Y218-G265 PolarHBondContact N-O 2.96Å; Y218-G265 PolarHBondContact O-N 3.29Å; Y218-G265 WeakPolarHBondContact OH-CA 3.37Å
219E87.8Confident92Very high22 Ų2240.7 Ų40.710%0.10321%0.206CC..SBendtrans61.619.9170.2-62.2-83.8-150.700114.3Y112 Y221 K222 Y264Y112-E219 PolarHBondContact OH-OE1 3.13Å; E219-Y221 PolarHBondContact O-N 2.94Å; E219-Y221 VanDerWaalsContact OE2-CE1 3.26Å; E219-Y221 WeakPolarHBondContact OE2-CE1 3.19Å; E219-Y221 PolarHBondContact OE2-OH 3.29Å; E219-K222 HydrophobicContact CB-CD 4.33Å; E219-K222 WeakPolarHBondContact O-CB 3.24Å; E219-K222 PolarHBondContact O-N 3.38Å; E219-K222 IonicContact OE1-NZ 3.19Å; E219-K222 PolarHBondContact OE1-NZ 2.69Å; E219-K222 WeakPolarHBondContact OE2-CE 3.44Å; E219-K222 IonicContact OE2-NZ 2.67Å; E219-K222 PolarHBondContact OE2-NZ 3.28Å; E219-Y264 WeakPolarHBondContact O-CB 3.26Å
220A85.3Confident91.8Very high13 Ų1339.9 Ų39.911%0.10721%0.208CC..THydrogen-bonded Turntrans-68.3-15.1-173.700000114.7I217 Y218 K222 G225 L229 L247I217-A220 HydrophobicContact CG2-CB 3.83Å; Y218-A220 PolarHBondContact O-N 2.86Å; Y218-A220 VanDerWaalsContact O-N 3.09Å; A220-K222 PolarHBondContact O-N 2.64Å; A220-G225 WeakPolarHBondContact O-CA 3.34Å; A220-L229 HydrophobicContact CB-CD1 4.06Å; A220-L229 HydrophobicContact CB-CD2 4.47Å; A220-L229 HydrophobicContact CB-CG 4.33Å; A220-L247 HydrophobicContact CB-CD2 4.3Å
221Y84.8Confident91.6Very high163 Ų16343.6 Ų43.664%0.63923%0.225SC*.THydrogen-bonded Turntrans-69.7-13.1175.864.5-94.9000113.2Y112 E219Y112-Y221 WeakPolarHBondContact CE1-OH 3.47Å; E219-Y221 PolarHBondContact O-N 2.94Å; E219-Y221 VanDerWaalsContact OE2-CE1 3.26Å; E219-Y221 WeakPolarHBondContact OE2-CE1 3.19Å; E219-Y221 PolarHBondContact OE2-OH 3.29Å
222K87Confident91.4Very high60 Ų6039.5 Ų39.526%0.26121%0.21SC..SBendtrans-72.2157.7179.4-72.5176.5171.5155.90112.1E219 A220 G224 G225 G262 Y264E219-K222 HydrophobicContact CB-CD 4.33Å; E219-K222 WeakPolarHBondContact O-CB 3.24Å; E219-K222 PolarHBondContact O-N 3.38Å; E219-K222 IonicContact OE1-NZ 3.19Å; E219-K222 PolarHBondContact OE1-NZ 2.69Å; E219-K222 WeakPolarHBondContact OE2-CE 3.44Å; E219-K222 IonicContact OE2-NZ 2.67Å; E219-K222 PolarHBondContact OE2-NZ 3.28Å; A220-K222 PolarHBondContact O-N 2.64Å; K222-G224 PolarHBondContact O-N 2.89Å; K222-G225 PolarHBondContact O-N 2.86Å; K222-G262 VanDerWaalsContact CD-O 3.27Å; K222-G262 WeakPolarHBondContact CD-O 3.43Å; K222-G262 WeakPolarHBondContact CE-O 3.23Å; K222-G262 PolarHBondContact NZ-O 2.71Å; K222-Y264 HydrophobicContact CB-CD1 4.16Å
223S87.4Confident91.2Very high123 Ų12340.1 Ų40.186%0.8621%0.213SC*.THydrogen-bonded Turntrans-55.3125.1178.9-175.40000112.1G225 Y264S223-G225 VanDerWaalsContact C-N 3.34Å; S223-Y264 WeakPolarHBondContact O-CE1 3.31Å
224G87.2Confident90.8Very high24 Ų2446 Ų4625%0.24724%0.241CC..THydrogen-bonded Turntrans87-7.5-175.100000115.2K222 R227 F228K222-G224 PolarHBondContact O-N 2.89Å; G224-R227 PolarHBondContact O-N 2.93Å; G224-F228 PolarHBondContact O-N 2.9Å
225G88.3Confident90.4Very high0 Ų048 Ų480%025%0.254CS..Hα-helixtrans-61.4-42.9177.500000113A220 K222 S223 R227 F228 L229A220-G225 WeakPolarHBondContact O-CA 3.34Å; K222-G225 PolarHBondContact O-N 2.86Å; S223-G225 VanDerWaalsContact C-N 3.34Å; G225-R227 VanDerWaalsContact C-N 3.31Å; G225-R227 PolarHBondContact O-N 2.75Å; G225-F228 WeakPolarHBondContact O-CB 3.25Å; G225-F228 PolarHBondContact O-N 3.4Å; G225-F228 VanDerWaalsContact O-N 3.11Å; G225-L229 WeakPolarHBondContact O-CG 3.42Å; G225-L229 PolarHBondContact O-N 3.07Å
226A88.4Confident89.9Confident69 Ų6948 Ų4857%0.5725%0.254SS*.Hα-helixtrans-57.7-41.1175.100000113.1L229 S230A226-L229 WeakPolarHBondContact O-CB 2.98Å; A226-L229 PolarHBondContact O-N 2.8Å; A226-S230 PolarHBondContact O-N 3.41Å; A226-S230 PolarHBondContact O-OG 3.36Å
227R91.4Very high89.3Confident195 Ų19550 Ų5074%0.73627%0.266SS*.Hα-helixtrans-67.9-39.2176.6-167.3-169.4-41.5179.96.7111.8G224 G225 L229 S230 Q231G224-R227 PolarHBondContact O-N 2.93Å; G225-R227 VanDerWaalsContact C-N 3.31Å; G225-R227 PolarHBondContact O-N 2.75Å; R227-L229 VanDerWaalsContact C-N 3.34Å; R227-S230 PolarHBondContact O-N 2.9Å; R227-Q231 WeakPolarHBondContact O-CB 3.28Å; R227-Q231 PolarHBondContact O-N 2.79Å
228F92.6Very high88.5Confident6 Ų656.9 Ų56.93%0.02630%0.303CS..Hα-helixtrans-63.3-41.6175.4172.9-96.5000111.6F189 I194 G224 G225 Q231 I232 Y264 V266F189-F228 HydrophobicContact CB-CZ 4.39Å; I194-F228 HydrophobicContact CB-CE2 3.98Å; I194-F228 HydrophobicContact CG1-CE2 4.37Å; I194-F228 HydrophobicContact CG2-CD2 4.04Å; I194-F228 HydrophobicContact CG2-CE2 3.86Å; G224-F228 PolarHBondContact O-N 2.9Å; G225-F228 WeakPolarHBondContact O-CB 3.25Å; G225-F228 PolarHBondContact O-N 3.4Å; G225-F228 VanDerWaalsContact O-N 3.11Å; F228-Q231 PolarHBondContact O-N 2.97Å; F228-I232 HydrophobicContact CD1-CD1 3.83Å; F228-I232 HydrophobicContact CD2-CD1 4.23Å; F228-I232 HydrophobicContact CE1-CD1 3.28Å; F228-I232 HydrophobicContact CE2-CD1 3.75Å; F228-I232 HydrophobicContact CG-CD1 4.28Å; F228-I232 HydrophobicContact CZ-CD1 3.25Å; F228-I232 PolarHBondContact O-N 3.25Å; F228-Y264 HydrophobicContact CB-CD2 3.95Å; F228-Y264 HydrophobicContact CB-CE2 3.53Å; F228-Y264 AromaticContact CD1-CD2 3.72Å; F228-Y264 HydrophobicContact CD1-CD2 3.72Å; F228-Y264 HydrophobicContact CD1-CE2 4.13Å; F228-Y264 HydrophobicContact CD2-CD2 4.08Å; F228-Y264 AromaticContact CD2-CE2 3.79Å; F228-Y264 HydrophobicContact CD2-CE2 3.79Å; F228-Y264 HydrophobicContact CE1-CD2 4.21Å; F228-Y264 AromaticContact CG-CD2 3.64Å; F228-Y264 HydrophobicContact CG-CD2 3.64Å; F228-Y264 AromaticContact CG-CE2 3.55Å; F228-Y264 HydrophobicContact CG-CE2 3.55Å; F228-V266 HydrophobicContact CE1-CB 4.45Å; F228-V266 HydrophobicContact CE1-CG1 4.4Å; F228-V266 HydrophobicContact CZ-CG1 4.16Å
229L91.4Very high88.1Confident9 Ų958.1 Ų58.15%0.04731%0.312CS..Hα-helixtrans-56.4-54172.2-74.9178000111.3I217 A220 G225 A226 R227 Q231 I232 L233I217-L229 HydrophobicContact CB-CD2 4.26Å; I217-L229 HydrophobicContact CD1-CD2 3.1Å; I217-L229 HydrophobicContact CG1-CD2 4.18Å; I217-L229 HydrophobicContact CG2-CD2 3.6Å; A220-L229 HydrophobicContact CB-CD1 4.06Å; A220-L229 HydrophobicContact CB-CD2 4.47Å; A220-L229 HydrophobicContact CB-CG 4.33Å; G225-L229 WeakPolarHBondContact O-CG 3.42Å; G225-L229 PolarHBondContact O-N 3.07Å; A226-L229 WeakPolarHBondContact O-CB 2.98Å; A226-L229 PolarHBondContact O-N 2.8Å; R227-L229 VanDerWaalsContact C-N 3.34Å; L229-Q231 VanDerWaalsContact C-N 3.28Å; L229-Q231 PolarHBondContact O-N 2.94Å; L229-I232 PolarHBondContact O-N 3.43Å; L229-I232 VanDerWaalsContact O-N 3.07Å; L229-L233 WeakPolarHBondContact O-CB 3.47Å; L229-L233 WeakPolarHBondContact O-CG 3.28Å; L229-L233 PolarHBondContact O-N 3.48Å
230S90.1Very high87.9Confident54 Ų5464.9 Ų64.938%0.37834%0.341SS..Hα-helixtrans-56.3-43.7178.5-57.40000111.9A226 R227 I232 L233 E234A226-S230 PolarHBondContact O-N 3.41Å; A226-S230 PolarHBondContact O-OG 3.36Å; R227-S230 PolarHBondContact O-N 2.9Å; S230-I232 PolarHBondContact O-N 2.94Å; S230-L233 PolarHBondContact O-N 2.84Å; S230-E234 VanDerWaalsContact O-CB 3.27Å; S230-E234 WeakPolarHBondContact O-CB 3.49Å; S230-E234 VanDerWaalsContact O-CG 3.26Å; S230-E234 WeakPolarHBondContact O-CG 3.49Å; S230-E234 PolarHBondContact O-N 2.84Å
231Q91.4Very high88.2Confident86 Ų8664.3 Ų64.340%0.40234%0.336SS..Hα-helixtrans-58.5-31.8178.8-173.1179.5-0.600113.3I194 R227 F228 L229 P235I194-Q231 HydrophobicContact CG1-CG 4.33Å; R227-Q231 WeakPolarHBondContact O-CB 3.28Å; R227-Q231 PolarHBondContact O-N 2.79Å; F228-Q231 PolarHBondContact O-N 2.97Å; L229-Q231 VanDerWaalsContact C-N 3.28Å; L229-Q231 PolarHBondContact O-N 2.94Å; Q231-P235 WeakPolarHBondContact O-CD 3.5Å
232I91.9Very high88.6Confident0 Ų056.5 Ų56.50%031%0.305CS..Hα-helixtrans-88-41.2179.1-69.9156.8000111.8I194 M215 F228 L229 S230 L236 V266I194-I232 HydrophobicContact CD1-CD1 4.39Å; I194-I232 HydrophobicContact CD1-CG1 3.77Å; I194-I232 HydrophobicContact CG1-CG1 4.31Å; M215-I232 HydrophobicContact SD-CG2 4.46Å; F228-I232 HydrophobicContact CD1-CD1 3.83Å; F228-I232 HydrophobicContact CD2-CD1 4.23Å; F228-I232 HydrophobicContact CE1-CD1 3.28Å; F228-I232 HydrophobicContact CE2-CD1 3.75Å; F228-I232 HydrophobicContact CG-CD1 4.28Å; F228-I232 HydrophobicContact CZ-CD1 3.25Å; F228-I232 PolarHBondContact O-N 3.25Å; L229-I232 PolarHBondContact O-N 3.43Å; L229-I232 VanDerWaalsContact O-N 3.07Å; S230-I232 PolarHBondContact O-N 2.94Å; I232-L236 HydrophobicContact CG2-CD1 4.33Å; I232-L236 WeakPolarHBondContact O-CD1 3.43Å; I232-L236 WeakPolarHBondContact O-CG 3.46Å; I232-V266 HydrophobicContact CD1-CB 4.13Å; I232-V266 HydrophobicContact CD1-CG1 3.41Å; I232-V266 VanDerWaalsContact CD1-CG1 3.41Å; I232-V266 HydrophobicContact CG1-CG1 4.36Å
233L91.6Very high89Confident13 Ų1353.7 Ų53.77%0.06829%0.293CS..Hα-helixtrans-78.9-36.3-173.2-65.7178.3000112.3M215 L229 S230 L236 T237 I354 L374M215-L233 HydrophobicContact CE-CD2 4.38Å; M215-L233 HydrophobicContact SD-CD2 3.82Å; L229-L233 WeakPolarHBondContact O-CB 3.47Å; L229-L233 WeakPolarHBondContact O-CG 3.28Å; L229-L233 PolarHBondContact O-N 3.48Å; S230-L233 PolarHBondContact O-N 2.84Å; L233-L236 CarbonylContact O-C 3.54Å; L233-L236 WeakPolarHBondContact O-CA 3.44Å; L233-L236 WeakPolarHBondContact O-CB 3.26Å; L233-L236 PolarHBondContact O-N 2.88Å; L233-T237 PolarHBondContact O-N 2.82Å; L233-T237 PolarHBondContact O-OG1 2.95Å; L233-T237 VanDerWaalsContact O-OG1 3.06Å; L233-I354 HydrophobicContact CD2-CG2 4.02Å; L233-L374 HydrophobicContact CB-CD1 4.39Å; L233-L374 HydrophobicContact CD2-CB 4.48Å; L233-L374 HydrophobicContact CD2-CD1 4.15Å
234E90.1Very high89.4Confident123 Ų12347.9 Ų47.958%0.57525%0.252SS*.Hα-helixtrans-55.6-46.6-177.8-78.9173.2-167.900113.8S230 L236 N238S230-E234 VanDerWaalsContact O-CB 3.27Å; S230-E234 WeakPolarHBondContact O-CB 3.49Å; S230-E234 VanDerWaalsContact O-CG 3.26Å; S230-E234 WeakPolarHBondContact O-CG 3.49Å; S230-E234 PolarHBondContact O-N 2.84Å; E234-L236 PolarHBondContact O-N 3.42Å; E234-N238 PolarHBondContact O-ND2 3Å; E234-N238 VanDerWaalsContact O-ND2 3.08Å
235P88.6Confident89.9Confident46 Ų4646.7 Ų46.730%0.29924%0.24SC..Hα-helixtrans-63.1-30.4174.7-23.235000113.1M199 V205 Q231M199-P235 HydrophobicContact CE-CB 4.25Å; M199-P235 HydrophobicContact CE-CG 4.02Å; M199-P235 HydrophobicContact SD-CG 4.44Å; V205-P235 HydrophobicContact CG2-CB 3.98Å; Q231-P235 WeakPolarHBondContact O-CD 3.5Å
236L88.6Confident90.3Very high0 Ų046.7 Ų46.70%024%0.24CC..Hα-helixtrans-84.5-31.1-175-65.6178.1000112.9L204 V213 M215 I232 L233 E234 N238 S239 I243L204-L236 HydrophobicContact CB-CD2 4.2Å; L204-L236 HydrophobicContact CD2-CD2 4.49Å; V213-L236 HydrophobicContact CG2-CD2 4.39Å; M215-L236 HydrophobicContact CE-CD1 3.36Å; I232-L236 HydrophobicContact CG2-CD1 4.33Å; I232-L236 WeakPolarHBondContact O-CD1 3.43Å; I232-L236 WeakPolarHBondContact O-CG 3.46Å; L233-L236 CarbonylContact O-C 3.54Å; L233-L236 WeakPolarHBondContact O-CA 3.44Å; L233-L236 WeakPolarHBondContact O-CB 3.26Å; L233-L236 PolarHBondContact O-N 2.88Å; E234-L236 PolarHBondContact O-N 3.42Å; L236-N238 PolarHBondContact O-N 2.85Å; L236-S239 VanDerWaalsContact O-CB 3.32Å; L236-S239 WeakPolarHBondContact O-CB 3.39Å; L236-S239 PolarHBondContact O-N 2.93Å; L236-S239 PolarHBondContact O-OG 2.84Å; L236-I243 HydrophobicContact CB-CD1 3.88Å; L236-I243 HydrophobicContact CB-CG1 4.14Å; L236-I243 HydrophobicContact CD1-CD1 4.3Å; L236-I243 HydrophobicContact CD2-CD1 4.16Å; L236-I243 HydrophobicContact CG-CD1 4.35Å
237T84.1Confident90.6Very high42 Ų4244.6 Ų44.626%0.25822%0.22SC..Hα-helixtrans-56.3-41.3173.8-58.30000111L233 S239 L374L233-T237 PolarHBondContact O-N 2.82Å; L233-T237 PolarHBondContact O-OG1 2.95Å; L233-T237 VanDerWaalsContact O-OG1 3.06Å; T237-S239 VanDerWaalsContact C-N 3.26Å; T237-S239 PolarHBondContact O-N 2.77Å; T237-L374 WeakPolarHBondContact OG1-CD1 3.08Å
238N78.2Confident90.7Very high146 Ų14635.6 Ų35.678%0.78119%0.186SC*.THydrogen-bonded Turntrans-79.5-6.4179.2-64.8-57.3000113.7E234 L236E234-N238 PolarHBondContact O-ND2 3Å; E234-N238 VanDerWaalsContact O-ND2 3.08Å; L236-N238 PolarHBondContact O-N 2.85Å
239S83.6Confident90.5Very high27 Ų2738.2 Ų38.219%0.18920%0.198CC..SBendtrans-82.9152.9178.6850000111.4L236 T237 A241 R358L236-S239 VanDerWaalsContact O-CB 3.32Å; L236-S239 WeakPolarHBondContact O-CB 3.39Å; L236-S239 PolarHBondContact O-N 2.93Å; L236-S239 PolarHBondContact O-OG 2.84Å; T237-S239 VanDerWaalsContact C-N 3.26Å; T237-S239 PolarHBondContact O-N 2.77Å; S239-A241 PolarHBondContact O-N 2.94Å; S239-A241 PolarHBondContact OG-N 2.78Å; S239-R358 PolarHBondContact O-NH1 3.26Å
240K84.4Confident90.3Very high163 Ų16338.5 Ų38.571%0.70920%0.204SC*.SBendtrans-76-4.8170.2-64.5-173.8178.4-173.70113.1
241A90.8Very high90.2Very high1 Ų136.5 Ų36.51%0.00819%0.189CC..SBendtrans-73.3142.7-176.900000110.8L210 R211 S239 I243 R358L210-A241 HydrophobicContact CB-CB 4.42Å; L210-A241 HydrophobicContact CD2-CB 3.77Å; L210-A241 HydrophobicContact CG-CB 3.66Å; R211-A241 CarbonylContact O-C 3.38Å; R211-A241 WeakPolarHBondContact O-CA 3.17Å; S239-A241 PolarHBondContact O-N 2.94Å; S239-A241 PolarHBondContact OG-N 2.78Å; A241-I243 HydrophobicContact CB-CD1 4.24Å; A241-I243 PolarHBondContact O-N 3.01Å; A241-R358 PolarHBondContact O-NH1 2.77Å
242L94.1Very high90Very high0 Ų034.7 Ų34.70%018%0.18CC..EExtended strand (participates in β ladder)trans-65.7126.4166.9170.568.1000109.7R211 V212 V213 S280 R358 T383R211-L242 PolarHBondContact O-N 3.18Å; V212-L242 CarbonylContact C-O 3.52Å; V212-L242 VanDerWaalsContact CA-O 3.28Å; V212-L242 WeakPolarHBondContact CA-O 3.38Å; V212-L242 HydrophobicContact CB-CB 4.5Å; V212-L242 HydrophobicContact CG1-CB 4.36Å; V212-L242 HydrophobicContact CG1-CD2 3.93Å; V212-L242 HydrophobicContact CG1-CG 4.24Å; V212-L242 HydrophobicContact CG2-CB 4.17Å; V212-L242 HydrophobicContact CG2-CD2 4.09Å; V213-L242 PolarHBondContact N-O 2.98Å; L242-S280 WeakPolarHBondContact CD1-OG 3.15Å; L242-R358 HydrophobicContact CD1-CB 4.09Å; L242-T383 HydrophobicContact CD2-CG2 3.4Å; L242-T383 VanDerWaalsContact CD2-CG2 3.4Å; L242-T383 HydrophobicContact CG-CG2 4.36Å
243I95.4Very high89.7Confident1 Ų136 Ų361%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-110.2128.7174.1-46.8-55.5000107.5V213 M215 L236 A241 I354 G355 L374V213-I243 HydrophobicContact CB-CD1 3.72Å; V213-I243 HydrophobicContact CG2-CD1 3.7Å; M215-I243 HydrophobicContact CE-CG2 3.55Å; M215-I243 HydrophobicContact SD-CG2 4.44Å; L236-I243 HydrophobicContact CB-CD1 3.88Å; L236-I243 HydrophobicContact CB-CG1 4.14Å; L236-I243 HydrophobicContact CD1-CD1 4.3Å; L236-I243 HydrophobicContact CD2-CD1 4.16Å; L236-I243 HydrophobicContact CG-CD1 4.35Å; A241-I243 HydrophobicContact CB-CD1 4.24Å; A241-I243 PolarHBondContact O-N 3.01Å; I243-I354 HydrophobicContact CG2-CG2 4.01Å; I243-G355 WeakPolarHBondContact O-CA 3.26Å; I243-L374 HydrophobicContact CB-CD1 4.36Å; I243-L374 HydrophobicContact CB-CD2 4.17Å; I243-L374 HydrophobicContact CG1-CD1 4.22Å; I243-L374 HydrophobicContact CG1-CD2 4.47Å; I243-L374 HydrophobicContact CG2-CD1 4.3Å
244A96.4Very high89.5Confident0 Ų037.8 Ų37.80%020%0.198CC..EExtended strand (participates in β ladder)trans-146.7151.9177.100000111.1V213 V214 M215 F315 I354 V381 T383V213-A244 PolarHBondContact O-N 3.08Å; V214-A244 CarbonylContact C-O 3.58Å; V214-A244 VanDerWaalsContact CA-O 3.26Å; V214-A244 WeakPolarHBondContact CA-O 3.46Å; M215-A244 PolarHBondContact N-O 3.2Å; A244-F315 HydrophobicContact CB-CD2 4.03Å; A244-F315 HydrophobicContact CB-CE2 3.61Å; A244-I354 CarbonylContact C-O 3.51Å; A244-I354 VanDerWaalsContact CA-O 3.24Å; A244-I354 WeakPolarHBondContact CA-O 2.88Å; A244-V381 HydrophobicContact CB-CG1 4.4Å; A244-T383 HydrophobicContact CB-CG2 4.07Å; A244-T383 WeakPolarHBondContact CB-OG1 3.37Å
245G97.1Very high89.1Confident0 Ų035.2 Ų35.20%019%0.192CC..EExtended strand (participates in β ladder)trans157.5-159.8-177.100000114M215 F315 I354M215-G245 WeakPolarHBondContact O-CA 3.27Å; G245-F315 WeakPolarHBondContact O-CB 3.41Å; G245-F315 WeakPolarHBondContact O-CG 3.17Å; G245-I354 PolarHBondContact N-O 3.09Å; G245-I354 PolarHBondContact O-N 2.83Å
246G95.6Very high88.6Confident0 Ų036.5 Ų36.50%019%0.19CC..EExtended strand (participates in β ladder)trans-171.5175.1177.700000114M215 F216 I217 G352M215-G246 PolarHBondContact O-N 2.92Å; F216-G246 WeakPolarHBondContact CA-O 3.28Å; I217-G246 PolarHBondContact N-O 2.94Å; G246-G352 CarbonylContact C-O 3.49Å; G246-G352 VanDerWaalsContact CA-O 3.26Å; G246-G352 WeakPolarHBondContact CA-O 3.47Å
247L94.8Very high88.1Confident25 Ų2544 Ų4413%0.13123%0.23CC..EExtended strand (participates in β ladder)trans-85.1127.3173.2-77.772.8000109.4I217 A220 G350 N351 G352 I354I217-L247 CarbonylContact O-C 3.53Å; I217-L247 VanDerWaalsContact O-CA 3.27Å; I217-L247 WeakPolarHBondContact O-CA 3.04Å; A220-L247 HydrophobicContact CB-CD2 4.3Å; L247-G350 CarbonylContact O-C 3.56Å; L247-G350 VanDerWaalsContact O-CA 3.29Å; L247-G350 WeakPolarHBondContact O-CA 2.91Å; L247-N351 HydrophobicContact CB-CB 4.08Å; L247-N351 PolarHBondContact O-N 3.45Å; L247-G352 PolarHBondContact N-O 2.87Å; L247-I354 HydrophobicContact CD1-CD1 4.37Å; L247-I354 HydrophobicContact CD1-CG1 4.3Å
248V93.6Very high87.8Confident5 Ų544 Ų443%0.0323%0.232CC..EExtended strand (participates in β ladder)trans-122.8161.7-171.7-55.40000111.2I145 A146 T147 F216 I217 L348I145-V248 HydrophobicContact CD1-CG1 4.22Å; A146-V248 WeakPolarHBondContact O-CB 3.5Å; T147-V248 HydrophobicContact CG2-CB 4.18Å; T147-V248 HydrophobicContact CG2-CG1 3.9Å; F216-V248 HydrophobicContact CB-CG1 3.98Å; F216-V248 HydrophobicContact CB-CG2 3.98Å; F216-V248 HydrophobicContact CD1-CG1 3.94Å; F216-V248 HydrophobicContact CG-CG1 4.37Å; I217-V248 PolarHBondContact O-N 3.33Å; V248-L348 HydrophobicContact CG1-CD2 3.88Å
249E88.4Confident88Confident62 Ų6237.7 Ų37.729%0.2920%0.199SC..SBendtrans-67.7-40.8179.2-70.4-51.9132.800111.5C104 A146 P148 N351C104-E249 HydrophobicContact CB-CB 4.35Å; C104-E249 HydrophobicContact CB-CG 3.84Å; A146-E249 PolarHBondContact O-N 3.05Å; P148-E249 HydrophobicContact CG-CG 4.08Å; P148-E249 WeakPolarHBondContact CG-OE1 3.43Å; E249-N351 PolarHBondContact OE1-ND2 3.07Å
250G88Confident87.7Confident15 Ų1540.1 Ų40.116%0.15522%0.216CC..EExtended strand (participates in β ladder)trans-173.2176.2-176.700000115.5I145 A146I145-G250 WeakPolarHBondContact CA-O 3.22Å; A146-G250 PolarHBondContact N-O 3.36Å; A146-G250 PolarHBondContact O-N 2.94Å
251V88.8Confident87.2Confident12 Ų1241.1 Ų41.17%0.07322%0.22CC..EExtended strand (participates in β ladder)trans-123.2122.1176.1179.30000107.3G144 I145 Y218 Y253 I267G144-V251 WeakPolarHBondContact O-CA 3.49Å; I145-V251 HydrophobicContact CG2-CG2 4.23Å; Y218-V251 HydrophobicContact CD1-CB 4.34Å; Y218-V251 HydrophobicContact CD1-CG2 3.29Å; Y218-V251 HydrophobicContact CE1-CB 4.36Å; Y218-V251 HydrophobicContact CE1-CG2 3.57Å; Y218-V251 HydrophobicContact CG-CG2 4.11Å; V251-Y253 WeakPolarHBondContact CG1-O 3.35Å; V251-I267 HydrophobicContact CG1-CD1 3.67Å; V251-I267 HydrophobicContact CG1-CG2 4.23Å; V251-I267 HydrophobicContact CG2-CB 4.24Å; V251-I267 HydrophobicContact CG2-CG2 3.5Å; V251-I267 VanDerWaalsContact CG2-CG2 3.5Å
252F85.3Confident86.4Confident48 Ų4842.2 Ų42.221%0.21123%0.232CC..EExtended strand (participates in β ladder)trans-105.2-17.4178.865.6-103000112.6M100 V102 L132 G144 I145M100-F252 HydrophobicContact CB-CZ 4.31Å; M100-F252 HydrophobicContact CE-CE2 3.97Å; M100-F252 HydrophobicContact CE-CZ 3.66Å; M100-F252 HydrophobicContact CG-CZ 3.88Å; M100-F252 HydrophobicContact SD-CE2 4.03Å; M100-F252 HydrophobicContact SD-CZ 3.84Å; V102-F252 HydrophobicContact CG2-CD1 4.3Å; V102-F252 HydrophobicContact CG2-CE1 3.72Å; L132-F252 HydrophobicContact CD1-CD2 4.44Å; L132-F252 HydrophobicContact CD1-CE2 4.09Å; G144-F252 PolarHBondContact O-N 3.44Å; I145-F252 VanDerWaalsContact N-CE1 3.26Å; I145-F252 VanDerWaalsContact O-CE1 3.24Å; I145-F252 WeakPolarHBondContact O-CE1 3.35Å
253Y86.4Confident86Confident27 Ų2743.7 Ų43.711%0.10624%0.242CC..EExtended strand (participates in β ladder)trans-145138175.2-161.7-75.6000112A129 L132 N133 I142 G144 V251A129-Y253 HydrophobicContact CB-CD2 4.32Å; A129-Y253 HydrophobicContact CB-CE2 4.17Å; L132-Y253 HydrophobicContact CB-CD2 4.48Å; L132-Y253 HydrophobicContact CB-CE2 4.38Å; L132-Y253 HydrophobicContact CD1-CD2 3.84Å; L132-Y253 HydrophobicContact CD1-CG 4.39Å; N133-Y253 PolarHBondContact OD1-OH 3.01Å; I142-Y253 HydrophobicContact CB-CD1 3.5Å; I142-Y253 HydrophobicContact CB-CE1 3.52Å; I142-Y253 HydrophobicContact CB-CG 4.36Å; I142-Y253 HydrophobicContact CD1-CE1 4.14Å; I142-Y253 HydrophobicContact CG1-CE1 4.26Å; I142-Y253 HydrophobicContact CG2-CD1 3.74Å; I142-Y253 HydrophobicContact CG2-CE1 4.23Å; I142-Y253 HydrophobicContact CG2-CG 4.16Å; I142-Y253 VanDerWaalsContact O-CD1 3.26Å; I142-Y253 WeakPolarHBondContact O-CD1 3.45Å; G144-Y253 PolarHBondContact N-O 3.02Å; G144-Y253 PolarHBondContact O-N 2.79Å; V251-Y253 WeakPolarHBondContact CG1-O 3.35Å
254P87.5Confident85.8Confident51 Ų5145 Ų4533%0.33125%0.247SC..SBendcis-70.7160.8-1.430.4-35.1000112.9R256P254-R256 PolarHBondContact O-N 3.5Å
255P81.2Confident85.7Confident69 Ų6945 Ų4545%0.44825%0.247SC..  trans-50.8131.8167.7-25.134.7000110.4A129A129-P255 HydrophobicContact CB-CG 3.61Å
256R78.1Confident85.7Confident72 Ų7245 Ų4527%0.27225%0.247SC..  trans-96.6102-174.6-65.2179.8-68.7163.4-1.7109.9Y218 P254Y218-R256 VanDerWaalsContact CZ-NH1 3.26Å; Y218-R256 PolarHBondContact OH-NH1 2.89Å; P254-R256 PolarHBondContact O-N 3.5Å
257D78.2Confident85.8Confident158 Ų15845.1 Ų45.185%0.84525%0.247SC*.  trans-90.2-19.4173.1-61.8-30.4000112.3
258C78.9Confident85.9Confident43 Ų4343.9 Ų43.929%0.29124%0.241SC..SBendtrans-78-22-174.364.20000113.9H188 T193H188-C258 PolarHBondContact CE1-SG 2.62Å; T193-C258 HydrophobicContact CG2-CB 3.8Å
259C81.8Confident86.1Confident12 Ų1243.9 Ų43.98%0.08124%0.241CC..SBendtrans-141.8148.9-177.860.90000112.7C190C190-C259 HydrophobicContact CB-CB 3.92Å
260S77.4Confident86.6Confident79 Ų7941 Ų4155%0.55223%0.228SC*.  trans-72.4156.1178.954.30000111.1G262 S263S260-G262 PolarHBondContact O-N 3.38Å; S260-S263 PolarHBondContact N-OG 3.42Å; S260-S263 VanDerWaalsContact O-CB 3.28Å; S260-S263 WeakPolarHBondContact O-CB 3.4Å; S260-S263 PolarHBondContact O-N 3.23Å; S260-S263 PolarHBondContact O-OG 2.67Å; S260-S263 PolarHBondContact OG-OG 2.91Å
261K73.3Confident87Confident184 Ų18440.5 Ų40.580%0.822%0.221SC*.THydrogen-bonded Turntrans-48.7137.3170.5-69.2-173179.2-175.70110.4S263K261-S263 VanDerWaalsContact C-N 3.31Å; K261-S263 PolarHBondContact O-N 3.44Å
262G74.8Confident87.4Confident24 Ų2440.4 Ų40.425%0.24722%0.221CC..THydrogen-bonded Turntrans76.26.8-176.400000115.6K222 S260K222-G262 VanDerWaalsContact CD-O 3.27Å; K222-G262 WeakPolarHBondContact CD-O 3.43Å; K222-G262 WeakPolarHBondContact CE-O 3.23Å; K222-G262 PolarHBondContact NZ-O 2.71Å; S260-G262 PolarHBondContact O-N 3.38Å
263S85.9Confident87.9Confident30 Ų3038.2 Ų38.221%0.2121%0.212CC..  trans-71.6153.8165.7-570000110.5Y218 S260 K261Y218-S263 WeakPolarHBondContact CE2-O 3.22Å; S260-S263 PolarHBondContact N-OG 3.42Å; S260-S263 VanDerWaalsContact O-CB 3.28Å; S260-S263 WeakPolarHBondContact O-CB 3.4Å; S260-S263 PolarHBondContact O-N 3.23Å; S260-S263 PolarHBondContact O-OG 2.67Å; S260-S263 PolarHBondContact OG-OG 2.91Å; K261-S263 VanDerWaalsContact C-N 3.31Å; K261-S263 PolarHBondContact O-N 3.44Å
264Y90.9Very high88.1Confident28 Ų2846.8 Ų46.811%0.1124%0.244CC..  trans-85.7158.2167.556.8-102.7000112.8K191 E219 K222 S223 F228K191-Y264 HydrophobicContact CB-CE2 3.91Å; K191-Y264 WeakPolarHBondContact CD-OH 3.24Å; K191-Y264 HydrophobicContact CG-CE2 4.45Å; E219-Y264 WeakPolarHBondContact O-CB 3.26Å; K222-Y264 HydrophobicContact CB-CD1 4.16Å; S223-Y264 WeakPolarHBondContact O-CE1 3.31Å; F228-Y264 HydrophobicContact CB-CD2 3.95Å; F228-Y264 HydrophobicContact CB-CE2 3.53Å; F228-Y264 AromaticContact CD1-CD2 3.72Å; F228-Y264 HydrophobicContact CD1-CD2 3.72Å; F228-Y264 HydrophobicContact CD1-CE2 4.13Å; F228-Y264 HydrophobicContact CD2-CD2 4.08Å; F228-Y264 AromaticContact CD2-CE2 3.79Å; F228-Y264 HydrophobicContact CD2-CE2 3.79Å; F228-Y264 HydrophobicContact CE1-CD2 4.21Å; F228-Y264 AromaticContact CG-CD2 3.64Å; F228-Y264 HydrophobicContact CG-CD2 3.64Å; F228-Y264 AromaticContact CG-CE2 3.55Å; F228-Y264 HydrophobicContact CG-CE2 3.55Å
265G94.4Very high88.3Confident0 Ų048.4 Ų48.40%025%0.246CC..EExtended strand (participates in β ladder)trans-179-177.8178.400000113.2F189 I217 Y218F189-G265 CarbonylContact O-C 3.47Å; F189-G265 WeakPolarHBondContact O-CA 3.42Å; I217-G265 WeakPolarHBondContact CG2-O 3.37Å; Y218-G265 WeakPolarHBondContact CD1-O 3.38Å; Y218-G265 WeakPolarHBondContact CE1-O 3.34Å; Y218-G265 PolarHBondContact N-O 2.96Å; Y218-G265 PolarHBondContact O-N 3.29Å; Y218-G265 WeakPolarHBondContact OH-CA 3.37Å
266V96.2Very high89Confident0 Ų045.2 Ų45.20%023%0.225CC..EExtended strand (participates in β ladder)trans-129.6142.2175.1620000109F187 H188 F189 M215 F216 I217 F228 I232F187-V266 HydrophobicContact CE2-CG1 4.29Å; F187-V266 HydrophobicContact CE2-CG2 4.05Å; H188-V266 WeakPolarHBondContact CA-O 3.39Å; H188-V266 PolarHBondContact CD2-O 3.27Å; H188-V266 VanDerWaalsContact CD2-O 3.3Å; F189-V266 HydrophobicContact CB-CG1 3.85Å; F189-V266 HydrophobicContact CD2-CG1 3.74Å; F189-V266 HydrophobicContact CG-CG1 4.29Å; F189-V266 PolarHBondContact N-O 3.37Å; F189-V266 PolarHBondContact O-N 3.03Å; M215-V266 HydrophobicContact CB-CG2 3.9Å; M215-V266 HydrophobicContact CG-CG2 4.45Å; M215-V266 HydrophobicContact SD-CG2 4.4Å; F216-V266 WeakPolarHBondContact O-CA 3.4Å; I217-V266 HydrophobicContact CD1-CG2 4.47Å; I217-V266 HydrophobicContact CG1-CB 4.21Å; I217-V266 HydrophobicContact CG1-CG2 3.89Å; F228-V266 HydrophobicContact CE1-CB 4.45Å; F228-V266 HydrophobicContact CE1-CG1 4.4Å; F228-V266 HydrophobicContact CZ-CG1 4.16Å; I232-V266 HydrophobicContact CD1-CB 4.13Å; I232-V266 HydrophobicContact CD1-CG1 3.41Å; I232-V266 VanDerWaalsContact CD1-CG1 3.41Å; I232-V266 HydrophobicContact CG1-CG1 4.36Å
267I97.2Very high89.8Confident3 Ų345.5 Ų45.52%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-126.9151.1166.1-167.3166.9000108.7V143 I145 F187 H188 M215 F216 V251V143-I267 HydrophobicContact CB-CD1 4.48Å; V143-I267 HydrophobicContact CG1-CD1 3.91Å; V143-I267 HydrophobicContact CG1-CG1 3.95Å; V143-I267 HydrophobicContact CG1-CG2 4.27Å; V143-I267 HydrophobicContact CG2-CD1 4.3Å; V143-I267 HydrophobicContact CG2-CG1 4.37Å; I145-I267 HydrophobicContact CG2-CG2 3.79Å; F187-I267 WeakPolarHBondContact O-CA 3.37Å; F187-I267 WeakPolarHBondContact O-CG1 3.43Å; H188-I267 HydrophobicContact CB-CG1 4.48Å; M215-I267 CarbonylContact C-O 3.51Å; M215-I267 WeakPolarHBondContact CA-O 3.48Å; F216-I267 HydrophobicContact CB-CG2 4.06Å; F216-I267 HydrophobicContact CD2-CG2 4.37Å; F216-I267 PolarHBondContact N-O 3.1Å; F216-I267 PolarHBondContact O-N 3.19Å; V251-I267 HydrophobicContact CG1-CD1 3.67Å; V251-I267 HydrophobicContact CG1-CG2 4.23Å; V251-I267 HydrophobicContact CG2-CB 4.24Å; V251-I267 HydrophobicContact CG2-CG2 3.5Å; V251-I267 VanDerWaalsContact CG2-CG2 3.5Å
268G97.6Very high90.6Very high0 Ų038.2 Ų38.20%019%0.192CC..EExtended strand (participates in β ladder)trans-175.6-172.1177.800000114.2P186 F187 V214P186-G268 CarbonylContact C-O 3.3Å; P186-G268 VanDerWaalsContact CA-O 3.32Å; P186-G268 WeakPolarHBondContact CA-O 3.39Å; F187-G268 WeakPolarHBondContact CD1-O 3.23Å; F187-G268 PolarHBondContact N-O 2.9Å; F187-G268 PolarHBondContact O-N 3.43Å; V214-G268 CarbonylContact O-C 3.48Å; V214-G268 WeakPolarHBondContact O-CA 3.49Å
269L98.3Very high91.4Very high5 Ų536.2 Ų36.23%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-123.2126.6176.4-59.6177.8000108.9T97 L99 V143 I184 P186 V213 V214 L271T97-L269 HydrophobicContact CG2-CD1 4.3Å; T97-L269 HydrophobicContact CG2-CD2 3.74Å; L99-L269 HydrophobicContact CB-CD1 4.33Å; V143-L269 HydrophobicContact CG2-CD2 3.74Å; V143-L269 HydrophobicContact CG2-CG 4.46Å; I184-L269 HydrophobicContact CG2-CB 4.3Å; I184-L269 HydrophobicContact CG2-CD1 4.33Å; I184-L269 HydrophobicContact CG2-CD2 4.09Å; I184-L269 HydrophobicContact CG2-CG 4.48Å; P186-L269 HydrophobicContact CB-CD2 4.06Å; V213-L269 WeakPolarHBondContact CA-O 3.24Å; V214-L269 PolarHBondContact N-O 2.73Å; V214-L269 PolarHBondContact O-N 2.72Å; L269-L271 HydrophobicContact CB-CD1 3.87Å; L269-L271 WeakPolarHBondContact O-CD1 3.31Å
270A98Very high92.1Very high1 Ų135.6 Ų35.61%0.00818%0.175CC..EExtended strand (participates in β ladder)trans-96.6120.3167.100000108.8K185 F187 L204 L210K185-A270 PolarHBondContact N-O 3Å; K185-A270 PolarHBondContact O-N 3.16Å; F187-A270 HydrophobicContact CD1-CB 4.32Å; F187-A270 HydrophobicContact CE1-CB 4.48Å; L204-A270 HydrophobicContact CD2-CB 3.8Å; L210-A270 HydrophobicContact CD1-CB 4.09Å
271L97.8Very high93Very high4 Ų431.9 Ų31.92%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-109.7119.8-179-61.979.7000109.2H183 I184 R211 V212 V214 L269 V276 V385 F387H183-L271 CarbonylContact O-C 3.56Å; H183-L271 WeakPolarHBondContact O-CA 3.41Å; I184-L271 HydrophobicContact CG1-CG 4.26Å; R211-L271 PolarHBondContact N-O 3.47Å; V212-L271 HydrophobicContact CB-CB 4.12Å; V212-L271 HydrophobicContact CB-CD1 4.31Å; V212-L271 HydrophobicContact CG1-CD1 4.45Å; V212-L271 PolarHBondContact N-O 2.66Å; V212-L271 VanDerWaalsContact N-O 3.11Å; V212-L271 PolarHBondContact O-N 3.17Å; V214-L271 HydrophobicContact CG2-CD1 4.44Å; L269-L271 HydrophobicContact CB-CD1 3.87Å; L269-L271 WeakPolarHBondContact O-CD1 3.31Å; L271-V276 HydrophobicContact CB-CG1 4.05Å; L271-V385 HydrophobicContact CD2-CG1 3.63Å; L271-F387 HydrophobicContact CD2-CD1 4.11Å; L271-F387 HydrophobicContact CD2-CE1 3.39Å; L271-F387 HydrophobicContact CD2-CZ 3.99Å
272S96.4Very high94.1Very high11 Ų1124.1 Ų24.18%0.07712%0.116CC..EExtended strand (participates in β ladder)trans-127.8155.9-176.8-53.60000111.4H183 N207 E209H183-S272 PolarHBondContact N-O 3.42Å; H183-S272 PolarHBondContact O-N 2.98Å; N207-S272 PolarHBondContact ND2-OG 2.73Å; E209-S272 CarbonylContact O-C 3.56Å; E209-S272 WeakPolarHBondContact O-CA 3.23Å; E209-S272 WeakPolarHBondContact O-CB 3.23Å
273G95Very high95.1Very high1 Ų123 Ų231%0.0110%0.104CC..SBendtrans121.7155.2175.300000112.7G181 E209 K275 V276G181-G273 WeakPolarHBondContact O-CA 3.24Å; E209-G273 PolarHBondContact O-N 3.36Å; G273-K275 PolarHBondContact O-N 3Å; G273-V276 PolarHBondContact O-N 3.33Å; G273-V276 VanDerWaalsContact O-N 3.12Å
274R91.2Very high95.4Very high208 Ų20824.9 Ų24.979%0.78511%0.112SC*.THydrogen-bonded Turntrans-67.7-22.7-170.8-60.7-178-175.3-169.6-2.6114.3E209E209-R274 IonicContact OE1-NE 2.78Å
275K92.3Very high95.5Very high84 Ų8428.7 Ų28.737%0.36513%0.13SC..THydrogen-bonded Turntrans-85.4-12.3177.7-61.3-173.4-169.2162.30112.9D180 V182 G273 Q277D180-K275 WeakPolarHBondContact O-CD 3.26Å; D180-K275 WeakPolarHBondContact O-CE 3.24Å; D180-K275 PolarHBondContact O-NZ 3.41Å; D180-K275 IonicContact OD2-NZ 2.99Å; D180-K275 PolarHBondContact OD2-NZ 2.67Å; D180-K275 VanDerWaalsContact OD2-NZ 3.1Å; V182-K275 HydrophobicContact CG2-CB 3.99Å; G273-K275 PolarHBondContact O-N 3Å; K275-Q277 PolarHBondContact O-N 3.1Å
276V95.1Very high95.4Very high3 Ų335.3 Ų35.32%0.01817%0.166CC..EExtended strand (participates in β ladder)trans-77.3125177.3-1760000109.2V182 R211 V212 L271 G273 H386V182-V276 HydrophobicContact CB-CG2 4.15Å; V182-V276 HydrophobicContact CG1-CG2 3.7Å; V182-V276 HydrophobicContact CG2-CG2 3.75Å; R211-V276 HydrophobicContact CB-CB 3.85Å; R211-V276 HydrophobicContact CB-CG1 3.67Å; R211-V276 HydrophobicContact CG-CB 4.06Å; R211-V276 HydrophobicContact CG-CG1 4.44Å; R211-V276 WeakPolarHBondContact CG-O 3.35Å; V212-V276 HydrophobicContact CG2-CG1 3.91Å; L271-V276 HydrophobicContact CB-CG1 4.05Å; G273-V276 PolarHBondContact O-N 3.33Å; G273-V276 VanDerWaalsContact O-N 3.12Å; V276-H386 WeakPolarHBondContact CA-O 3.41Å
277Q95.2Very high95.3Very high77 Ų7735.7 Ų35.736%0.3617%0.168SC..EExtended strand (participates in β ladder)trans-123.9149.6172.9-52.4178.2-67.900109.7K275 I305 H386K275-Q277 PolarHBondContact O-N 3.1Å; Q277-I305 HydrophobicContact CB-CD1 4.14Å; Q277-I305 HydrophobicContact CB-CG1 4.08Å; Q277-H386 HydrophobicContact CB-CB 3.99Å; Q277-H386 PolarHBondContact N-O 3.45Å; Q277-H386 PolarHBondContact O-N 3.19Å; Q277-H386 PolarHBondContact OE1-CD2 2.97Å
278G95.3Very high95.3Very high6 Ų636.7 Ų36.76%0.06218%0.179CC..EExtended strand (participates in β ladder)trans-144.9140.8-176.200000111.3L384G278-L384 WeakPolarHBondContact CA-O 3.48Å
279A96.1Very high95.2Very high0 Ų039.7 Ų39.70%020%0.198CC..EExtended strand (participates in β ladder)trans-147.1143.9168.400000110.2L300 A303 I305 R358 T383 L384A279-L300 HydrophobicContact CB-CD2 3.87Å; A279-A303 HydrophobicContact CB-CB 3.55Å; A279-I305 HydrophobicContact CB-CD1 3.83Å; A279-R358 CarbonylContact C-O 3.43Å; A279-R358 VanDerWaalsContact CA-O 3.28Å; A279-R358 WeakPolarHBondContact CA-O 3.4Å; A279-T383 CarbonylContact O-C 3.59Å; A279-T383 WeakPolarHBondContact O-CA 3.48Å; A279-L384 PolarHBondContact N-O 2.9Å; A279-L384 VanDerWaalsContact N-O 3.08Å; A279-L384 PolarHBondContact O-N 3.26Å
280S96.4Very high95.2Very high0 Ų041.4 Ų41.40%021%0.212CC..EExtended strand (participates in β ladder)trans-134.8154173.154.10000111.8L242 C356 R358 M382L242-S280 WeakPolarHBondContact CD1-OG 3.15Å; S280-C356 WeakPolarHBondContact CB-O 3.46Å; S280-C356 PolarHBondContact OG-O 3.07Å; S280-R358 PolarHBondContact N-O 3.33Å; S280-R358 PolarHBondContact O-N 2.99Å; S280-R358 PolarHBondContact OG-N 2.95Å; S280-M382 CarbonylContact C-O 3.58Å; S280-M382 WeakPolarHBondContact CA-O 3.4Å
281V96.2Very high95.2Very high0 Ų049.7 Ų49.70%025%0.248CC..EExtended strand (participates in β ladder)trans-129.9142.1166.7-63.80000109.2L283 T296 R299 L300 D357 M382V281-L283 HydrophobicContact CG2-CD1 4.13Å; V281-T296 HydrophobicContact CB-CG2 4.25Å; V281-T296 HydrophobicContact CG2-CG2 4.18Å; V281-R299 HydrophobicContact CG1-CB 3.91Å; V281-L300 HydrophobicContact CB-CG 4.43Å; V281-L300 HydrophobicContact CG1-CD2 3.86Å; V281-L300 HydrophobicContact CG1-CG 3.83Å; V281-L300 HydrophobicContact CG2-CD1 3.94Å; V281-L300 HydrophobicContact CG2-CD2 4.23Å; V281-L300 HydrophobicContact CG2-CG 3.8Å; V281-D357 WeakPolarHBondContact CA-OD1 3.23Å; V281-M382 HydrophobicContact CG2-CB 3.92Å; V281-M382 PolarHBondContact N-O 3.2Å; V281-M382 PolarHBondContact O-N 3.43Å
282L95.4Very high95.2Very high22 Ų2253.7 Ų53.712%0.11527%0.267CS..EExtended strand (participates in β ladder)trans-92.6121.8171.9-169.771.4000107.9T296 D357 T379 V381L282-T296 WeakPolarHBondContact O-CG2 3.38Å; L282-D357 PolarHBondContact N-OD1 2.85Å; L282-T379 HydrophobicContact CD1-CG2 4.27Å; L282-T379 HydrophobicContact CG-CG2 4.49Å; L282-V381 HydrophobicContact CD1-CG2 3.73Å
283L96Very high95.2Very high0 Ų053.2 Ų53.20%026%0.263CS..EExtended strand (participates in β ladder)trans-88.7106.1162.6-73.973.1000104.8V281 V287 A293 T296 V297 R320 E332 T379 T380 M382V281-L283 HydrophobicContact CG2-CD1 4.13Å; L283-V287 HydrophobicContact CB-CB 4.45Å; L283-V287 HydrophobicContact CB-CG1 4.4Å; L283-V287 HydrophobicContact CB-CG2 4.45Å; L283-V287 HydrophobicContact CD2-CG1 4.26Å; L283-V287 HydrophobicContact CG-CG1 4.39Å; L283-A293 HydrophobicContact CD2-CB 3.94Å; L283-T296 HydrophobicContact CB-CG2 4.45Å; L283-T296 HydrophobicContact CD1-CG2 3.76Å; L283-T296 HydrophobicContact CG-CG2 3.72Å; L283-V297 HydrophobicContact CD1-CG2 4.38Å; L283-R320 PolarHBondContact O-NH1 3.19Å; L283-R320 PolarHBondContact O-NH2 3.24Å; L283-E332 HydrophobicContact CD2-CG 3.95Å; L283-T379 WeakPolarHBondContact O-CA 3.28Å; L283-T379 WeakPolarHBondContact O-CB 3.42Å; L283-T380 PolarHBondContact N-O 3.39Å; L283-T380 PolarHBondContact O-N 2.84Å; L283-T380 VanDerWaalsContact O-N 3.1Å; L283-M382 HydrophobicContact CD1-CB 3.9Å
284D92.7Very high95.4Very high70 Ų7054.6 Ų54.637%0.37427%0.269SS..  trans-74.6-174.6-178.861.540.9000112.4D286 V287 R320D284-D286 PolarHBondContact O-N 2.95Å; D284-D286 WeakPolarHBondContact OD1-CA 3.4Å; D284-D286 WeakPolarHBondContact OD1-CB 3.44Å; D284-D286 PolarHBondContact OD1-N 2.89Å; D284-V287 PolarHBondContact O-N 2.85Å; D284-V287 PolarHBondContact OD1-N 3.09Å; D284-R320 PolarHBondContact O-NH1 2.78Å
285Q91.9Very high95.7Very high107 Ų10747.2 Ų47.250%0.525%0.253SS..THydrogen-bonded Turntrans-71.5-13.3-178.1-60.9-176.77.300113.7Y324 E377 Y378 T379Q285-Y324 VanDerWaalsContact C-OH 3.27Å; Q285-Y324 PolarHBondContact O-OH 3.46Å; Q285-E377 PolarHBondContact NE2-O 3Å; Q285-Y378 WeakPolarHBondContact CG-O 3.48Å; Q285-T379 HydrophobicContact CG-CG2 4.4Å
286D93Very high96Very high139 Ų13944.1 Ų44.174%0.74324%0.241SC*.THydrogen-bonded Turntrans-93.3-10.6-178.7-63.1-35.2000112D284 G288D284-D286 PolarHBondContact O-N 2.95Å; D284-D286 WeakPolarHBondContact OD1-CA 3.4Å; D284-D286 WeakPolarHBondContact OD1-CB 3.44Å; D284-D286 PolarHBondContact OD1-N 2.89Å; D286-G288 VanDerWaalsContact C-N 3.28Å; D286-G288 PolarHBondContact O-N 3.17Å
287V95.3Very high96.1Very high9 Ų944 Ų446%0.05524%0.24CC..  trans-75.276.5175.5-179.10000110.4L283 D284 E292 A293 Y324 Y325L283-V287 HydrophobicContact CB-CB 4.45Å; L283-V287 HydrophobicContact CB-CG1 4.4Å; L283-V287 HydrophobicContact CB-CG2 4.45Å; L283-V287 HydrophobicContact CD2-CG1 4.26Å; L283-V287 HydrophobicContact CG-CG1 4.39Å; D284-V287 PolarHBondContact O-N 2.85Å; D284-V287 PolarHBondContact OD1-N 3.09Å; V287-E292 HydrophobicContact CG1-CB 3.88Å; V287-A293 HydrophobicContact CG1-CB 4.1Å; V287-Y324 VanDerWaalsContact O-CE1 3.28Å; V287-Y324 WeakPolarHBondContact O-CE1 3.18Å; V287-Y324 PolarHBondContact O-OH 3.28Å; V287-Y325 WeakPolarHBondContact O-CE1 3.47Å; V287-Y325 PolarHBondContact O-OH 3.27Å
288G95.2Very high96.2Very high23 Ų2345.9 Ų45.924%0.23724%0.244CC..  trans-91.1-3.9-172.100000116.3D286 E292 Y325D286-G288 VanDerWaalsContact C-N 3.28Å; D286-G288 PolarHBondContact O-N 3.17Å; G288-E292 PolarHBondContact N-OE2 2.95Å; G288-Y325 WeakPolarHBondContact O-CD1 3.32Å
289T96.8Very high96.2Very high64 Ų6449.9 Ų49.939%0.39326%0.258SS..SBendtrans-131.9154.7-175.470.30000113.8K291 E292 A293T289-K291 PolarHBondContact O-N 2.59Å; T289-E292 WeakPolarHBondContact CB-OE2 3.44Å; T289-E292 WeakPolarHBondContact CG2-OE2 3.42Å; T289-E292 PolarHBondContact N-OE2 3.15Å; T289-E292 PolarHBondContact O-N 3.19Å; T289-E292 VanDerWaalsContact O-N 3.09Å; T289-E292 VanDerWaalsContact OG1-CG 3.28Å; T289-E292 WeakPolarHBondContact OG1-CG 3.05Å; T289-E292 PolarHBondContact OG1-N 3.04Å; T289-E292 PolarHBondContact OG1-OE2 2.89Å; T289-A293 PolarHBondContact O-N 2.93Å
290A97Very high96.2Very high41 Ų4150 Ų5034%0.33926%0.258SS..Hα-helixtrans-55.8-35.2175.700000113.3E294 V331A290-E294 WeakPolarHBondContact O-CB 3.17Å; A290-E294 PolarHBondContact O-N 3.37Å; A290-V331 HydrophobicContact CB-CG1 3.76Å
291K97.9Very high96.2Very high175 Ų17554 Ų5476%0.76128%0.276SS*.Hα-helixtrans-69.7-39.6178.5-173.6-177.1177-172.10111.7T289 A295T289-K291 PolarHBondContact O-N 2.59Å; K291-A295 WeakPolarHBondContact O-CB 3.47Å; K291-A295 PolarHBondContact O-N 3.31Å
292E97.9Very high96Very high88 Ų8856.1 Ų56.141%0.41129%0.292SS..Hα-helixtrans-69.8-43.1175.7-70.2157.3161.600110.6V287 G288 T289 E294 A295 T296V287-E292 HydrophobicContact CG1-CB 3.88Å; G288-E292 PolarHBondContact N-OE2 2.95Å; T289-E292 WeakPolarHBondContact CB-OE2 3.44Å; T289-E292 WeakPolarHBondContact CG2-OE2 3.42Å; T289-E292 PolarHBondContact N-OE2 3.15Å; T289-E292 PolarHBondContact O-N 3.19Å; T289-E292 VanDerWaalsContact O-N 3.09Å; T289-E292 VanDerWaalsContact OG1-CG 3.28Å; T289-E292 WeakPolarHBondContact OG1-CG 3.05Å; T289-E292 PolarHBondContact OG1-N 3.04Å; T289-E292 PolarHBondContact OG1-OE2 2.89Å; E292-E294 VanDerWaalsContact C-N 3.33Å; E292-E294 PolarHBondContact O-N 3.26Å; E292-A295 WeakPolarHBondContact O-CB 3.44Å; E292-A295 PolarHBondContact O-N 3.36Å; E292-A295 VanDerWaalsContact O-N 3.1Å; E292-T296 PolarHBondContact O-N 2.9Å; E292-T296 PolarHBondContact O-OG1 2.81Å
293A98.1Very high95.9Very high0 Ų055.6 Ų55.60%029%0.291CS..Hα-helixtrans-55.7-48.3173.400000111L283 V287 T289 A295 T296 V297 E332 A335L283-A293 HydrophobicContact CD2-CB 3.94Å; V287-A293 HydrophobicContact CG1-CB 4.1Å; T289-A293 PolarHBondContact O-N 2.93Å; A293-A295 VanDerWaalsContact C-N 3.35Å; A293-A295 PolarHBondContact O-N 3.43Å; A293-T296 PolarHBondContact O-N 3.14Å; A293-V297 WeakPolarHBondContact O-CB 3.27Å; A293-V297 VanDerWaalsContact O-CG2 3.24Å; A293-V297 WeakPolarHBondContact O-CG2 3.05Å; A293-V297 PolarHBondContact O-N 2.57Å; A293-E332 HydrophobicContact CB-CG 4.43Å; A293-A335 HydrophobicContact CB-CB 3.98Å
294E98.4Very high95.7Very high30 Ų3065.8 Ų65.814%0.1433%0.33CS..Hα-helixtrans-60.8-41175.3-175.5-172151.300112.6A290 E292 R298 A335 K338 V339A290-E294 WeakPolarHBondContact O-CB 3.17Å; A290-E294 PolarHBondContact O-N 3.37Å; E292-E294 VanDerWaalsContact C-N 3.33Å; E292-E294 PolarHBondContact O-N 3.26Å; E294-R298 VanDerWaalsContact O-CB 3.23Å; E294-R298 WeakPolarHBondContact O-CB 3.24Å; E294-R298 PolarHBondContact O-N 3.03Å; E294-R298 IonicContact OE1-CZ 2.63Å; E294-R298 IonicContact OE1-NH1 3.66Å; E294-R298 IonicContact OE1-NH2 2.71Å; E294-R298 PolarHBondContact OE1-NH2 3.1Å; E294-A335 HydrophobicContact CB-CB 4.14Å; E294-K338 VanDerWaalsContact CD-NZ 3.33Å; E294-K338 HydrophobicContact CG-CD 4.41Å; E294-K338 VanDerWaalsContact OE1-CE 3.27Å; E294-K338 WeakPolarHBondContact OE1-CE 3.42Å; E294-K338 IonicContact OE1-NZ 3.58Å; E294-K338 PolarHBondContact OE1-NZ 3.35Å; E294-K338 WeakPolarHBondContact OE2-CD 3.44Å; E294-K338 VanDerWaalsContact OE2-CE 3.31Å; E294-K338 WeakPolarHBondContact OE2-CE 3.39Å; E294-K338 IonicContact OE2-NZ 2.73Å; E294-K338 PolarHBondContact OE2-NZ 3.32Å; E294-V339 HydrophobicContact CG-CG2 4.05Å
295A97.9Very high95.8Very high53 Ų5363.3 Ų63.344%0.43832%0.317SS..Hα-helixtrans-63.5-42.7176.900000111.7K291 E292 A293 R298K291-A295 WeakPolarHBondContact O-CB 3.47Å; K291-A295 PolarHBondContact O-N 3.31Å; E292-A295 WeakPolarHBondContact O-CB 3.44Å; E292-A295 PolarHBondContact O-N 3.36Å; E292-A295 VanDerWaalsContact O-N 3.1Å; A293-A295 VanDerWaalsContact C-N 3.35Å; A293-A295 PolarHBondContact O-N 3.43Å; A295-R298 PolarHBondContact O-N 3.07Å
296T97.4Very high96Very high19 Ų1961 Ų6112%0.11731%0.311CS..Hα-helixtrans-66.2-49.9177.7-60.70000111.2V281 L282 L283 E292 A293 R298 R299V281-T296 HydrophobicContact CB-CG2 4.25Å; V281-T296 HydrophobicContact CG2-CG2 4.18Å; L282-T296 WeakPolarHBondContact O-CG2 3.38Å; L283-T296 HydrophobicContact CB-CG2 4.45Å; L283-T296 HydrophobicContact CD1-CG2 3.76Å; L283-T296 HydrophobicContact CG-CG2 3.72Å; E292-T296 PolarHBondContact O-N 2.9Å; E292-T296 PolarHBondContact O-OG1 2.81Å; A293-T296 PolarHBondContact O-N 3.14Å; T296-R298 VanDerWaalsContact C-N 3.27Å; T296-R298 PolarHBondContact O-N 3.15Å; T296-R299 VanDerWaalsContact O-CB 3.23Å; T296-R299 WeakPolarHBondContact O-CB 3.45Å; T296-R299 WeakPolarHBondContact O-CG 3.35Å; T296-R299 PolarHBondContact O-N 2.84Å; T296-R299 VanDerWaalsContact O-N 3.09Å
297V97.9Very high96Very high0 Ų056 Ų560%028%0.283CS..Hα-helixtrans-56.7-40.9175.8169.40000111.3L283 A293 R299 L300 F336 V339 F340 M382L283-V297 HydrophobicContact CD1-CG2 4.38Å; A293-V297 WeakPolarHBondContact O-CB 3.27Å; A293-V297 VanDerWaalsContact O-CG2 3.24Å; A293-V297 WeakPolarHBondContact O-CG2 3.05Å; A293-V297 PolarHBondContact O-N 2.57Å; V297-R299 PolarHBondContact O-N 2.94Å; V297-R299 VanDerWaalsContact O-N 3.08Å; V297-L300 HydrophobicContact CG1-CD1 4.48Å; V297-L300 VanDerWaalsContact O-CB 3.26Å; V297-L300 WeakPolarHBondContact O-CB 3.44Å; V297-L300 PolarHBondContact O-N 3.32Å; V297-F336 HydrophobicContact CG1-CB 4.46Å; V297-F336 HydrophobicContact CG1-CD2 4.19Å; V297-V339 HydrophobicContact CB-CG2 4.4Å; V297-V339 HydrophobicContact CG1-CB 3.82Å; V297-V339 HydrophobicContact CG1-CG1 4.11Å; V297-V339 HydrophobicContact CG1-CG2 3.85Å; V297-F340 HydrophobicContact CG1-CD2 4.26Å; V297-F340 HydrophobicContact CG1-CE2 4.08Å; V297-M382 HydrophobicContact CG2-CE 4.35Å; V297-M382 HydrophobicContact CG2-CG 4.25Å
298R97.7Very high95.8Very high118 Ų11864.3 Ų64.345%0.44531%0.313SS..Hα-helixtrans-57.5-26.3-180-177.1177-72.8109.9-2113.1E294 A295 T296 L300 K301 V339E294-R298 VanDerWaalsContact O-CB 3.23Å; E294-R298 WeakPolarHBondContact O-CB 3.24Å; E294-R298 PolarHBondContact O-N 3.03Å; E294-R298 IonicContact OE1-CZ 2.63Å; E294-R298 IonicContact OE1-NH1 3.66Å; E294-R298 IonicContact OE1-NH2 2.71Å; E294-R298 PolarHBondContact OE1-NH2 3.1Å; A295-R298 PolarHBondContact O-N 3.07Å; T296-R298 VanDerWaalsContact C-N 3.27Å; T296-R298 PolarHBondContact O-N 3.15Å; R298-L300 PolarHBondContact O-N 3.16Å; R298-K301 WeakPolarHBondContact O-CB 3.41Å; R298-K301 PolarHBondContact O-N 3.38Å; R298-V339 HydrophobicContact CB-CG1 4.49Å; R298-V339 HydrophobicContact CB-CG2 4.33Å
299R95.6Very high95.6Very high90 Ų9065.2 Ų65.234%0.3431%0.313SS..G310 helixtrans-57.8-29.5174.8-64.6164.542.5-169.3-10112.4V281 T296 V297 K301 A302 D357 I359V281-R299 HydrophobicContact CG1-CB 3.91Å; T296-R299 VanDerWaalsContact O-CB 3.23Å; T296-R299 WeakPolarHBondContact O-CB 3.45Å; T296-R299 WeakPolarHBondContact O-CG 3.35Å; T296-R299 PolarHBondContact O-N 2.84Å; T296-R299 VanDerWaalsContact O-N 3.09Å; V297-R299 PolarHBondContact O-N 2.94Å; V297-R299 VanDerWaalsContact O-N 3.08Å; R299-K301 PolarHBondContact O-N 3.34Å; R299-K301 VanDerWaalsContact O-N 3.16Å; R299-A302 VanDerWaalsContact O-CB 3.23Å; R299-A302 WeakPolarHBondContact O-CB 3.32Å; R299-A302 PolarHBondContact O-N 2.95Å; R299-D357 IonicContact CZ-OD1 3.95Å; R299-D357 IonicContact CZ-OD2 3.68Å; R299-D357 IonicContact NH1-OD1 3.78Å; R299-D357 IonicContact NH1-OD2 3.28Å; R299-D357 PolarHBondContact NH1-OD2 3.25Å; R299-D357 VanDerWaalsContact NH1-OD2 3.16Å; R299-D357 IonicContact NH2-OD1 3.15Å; R299-D357 PolarHBondContact NH2-OD1 3.48Å; R299-D357 IonicContact NH2-OD2 2.69Å; R299-D357 PolarHBondContact NH2-OD2 2.76Å; R299-I359 WeakPolarHBondContact O-CD1 3.39Å
300L96.1Very high95.6Very high1 Ų162.2 Ų62.21%0.00529%0.294CS..G310 helixtrans-58.4-27.4175.4-71167.3000112.9A279 V281 V297 R298 A302 A303 F340 M382 L384A279-L300 HydrophobicContact CB-CD2 3.87Å; V281-L300 HydrophobicContact CB-CG 4.43Å; V281-L300 HydrophobicContact CG1-CD2 3.86Å; V281-L300 HydrophobicContact CG1-CG 3.83Å; V281-L300 HydrophobicContact CG2-CD1 3.94Å; V281-L300 HydrophobicContact CG2-CD2 4.23Å; V281-L300 HydrophobicContact CG2-CG 3.8Å; V297-L300 HydrophobicContact CG1-CD1 4.48Å; V297-L300 VanDerWaalsContact O-CB 3.26Å; V297-L300 WeakPolarHBondContact O-CB 3.44Å; V297-L300 PolarHBondContact O-N 3.32Å; R298-L300 PolarHBondContact O-N 3.16Å; L300-A302 PolarHBondContact O-N 3.3Å; L300-A302 VanDerWaalsContact O-N 3.15Å; L300-A303 VanDerWaalsContact O-CB 3.22Å; L300-A303 WeakPolarHBondContact O-CB 3.49Å; L300-A303 PolarHBondContact O-N 2.82Å; L300-F340 HydrophobicContact CB-CE2 3.8Å; L300-F340 HydrophobicContact CB-CZ 3.59Å; L300-F340 HydrophobicContact CD1-CE2 4.05Å; L300-M382 HydrophobicContact CD1-CB 4.49Å; L300-M382 HydrophobicContact CD1-CG 3.92Å; L300-L384 HydrophobicContact CB-CD1 3.99Å; L300-L384 HydrophobicContact CD1-CD1 4.42Å; L300-L384 HydrophobicContact CD1-CG 4.21Å; L300-L384 HydrophobicContact CD2-CG 4.48Å
301K95.2Very high95.6Very high86 Ų8660.3 Ų60.337%0.37428%0.278SS..G310 helixtrans-61.8-23.2176-68.8-73.3179.9179.40112.4R298 R299 A303 R304 E307 V339 F340R298-K301 WeakPolarHBondContact O-CB 3.41Å; R298-K301 PolarHBondContact O-N 3.38Å; R299-K301 PolarHBondContact O-N 3.34Å; R299-K301 VanDerWaalsContact O-N 3.16Å; K301-A303 PolarHBondContact O-N 3.37Å; K301-R304 PolarHBondContact O-N 3.38Å; K301-R304 VanDerWaalsContact O-N 3.09Å; K301-E307 IonicContact NZ-OE1 3.7Å; K301-E307 PolarHBondContact NZ-OE1 2.86Å; K301-V339 HydrophobicContact CD-CG1 4.44Å; K301-V339 WeakPolarHBondContact CE-O 3.12Å; K301-V339 HydrophobicContact CG-CG1 3.97Å; K301-V339 PolarHBondContact NZ-O 2.93Å; K301-F340 HydrophobicContact CD-CD1 4.32Å; K301-F340 HydrophobicContact CD-CE1 3.54Å; K301-F340 HydrophobicContact CD-CZ 3.78Å; K301-F340 HydrophobicContact CG-CE1 4.22Å; K301-F340 HydrophobicContact CG-CZ 3.92Å; K301-F340 VanDerWaalsContact NZ-CD1 3.3Å
302A92.9Very high95.6Very high43 Ų4352 Ų5236%0.35524%0.242SC..G310 helixtrans-63.5-22.8175.300000112.7R299 L300 R304 I359 K361R299-A302 VanDerWaalsContact O-CB 3.23Å; R299-A302 WeakPolarHBondContact O-CB 3.32Å; R299-A302 PolarHBondContact O-N 2.95Å; L300-A302 PolarHBondContact O-N 3.3Å; L300-A302 VanDerWaalsContact O-N 3.15Å; A302-R304 VanDerWaalsContact C-N 3.25Å; A302-R304 PolarHBondContact O-N 2.88Å; A302-I359 HydrophobicContact CB-CD1 4.33Å; A302-K361 WeakPolarHBondContact O-CE 3.26Å; A302-K361 PolarHBondContact O-NZ 2.86Å
303A92Very high95.7Very high11 Ų1148 Ų489%0.09122%0.224CC..G310 helixtrans-69.8-19.8175.400000113.3A279 L300 K301 I305 I359A279-A303 HydrophobicContact CB-CB 3.55Å; L300-A303 VanDerWaalsContact O-CB 3.22Å; L300-A303 WeakPolarHBondContact O-CB 3.49Å; L300-A303 PolarHBondContact O-N 2.82Å; K301-A303 PolarHBondContact O-N 3.37Å; A303-I305 HydrophobicContact CB-CD1 3.97Å; A303-I305 HydrophobicContact CB-CG1 3.91Å; A303-I305 PolarHBondContact O-N 2.9Å; A303-I359 HydrophobicContact CB-CG2 3.9Å
304R93.7Very high95.7Very high214 Ų21448 Ų4881%0.80822%0.224SC*.  trans54.729.7-177.3-56.7-179.7177.4179.4-1.3113.8K301 A302K301-R304 PolarHBondContact O-N 3.38Å; K301-R304 VanDerWaalsContact O-N 3.09Å; A302-R304 VanDerWaalsContact C-N 3.25Å; A302-R304 PolarHBondContact O-N 2.88Å
305I94.8Very high95.7Very high19 Ų1946.7 Ų46.710%0.09722%0.217CC..  trans-71.6129.8173.9-67.1174.1000108.8Q277 A279 A303 T310 L384 H386Q277-I305 HydrophobicContact CB-CD1 4.14Å; Q277-I305 HydrophobicContact CB-CG1 4.08Å; A279-I305 HydrophobicContact CB-CD1 3.83Å; A303-I305 HydrophobicContact CB-CD1 3.97Å; A303-I305 HydrophobicContact CB-CG1 3.91Å; A303-I305 PolarHBondContact O-N 2.9Å; I305-T310 HydrophobicContact CG2-CG2 3.95Å; I305-L384 HydrophobicContact CD1-CB 4.22Å; I305-H386 HydrophobicContact CG2-CB 3.7Å
306P94.3Very high95.7Very high58 Ų5844.2 Ų44.238%0.37720%0.197SC..  trans-66.5149.7175.728.7-35.5000111.3T310P306-T310 VanDerWaalsContact O-CB 3.26Å; P306-T310 WeakPolarHBondContact O-CB 3.22Å; P306-T310 PolarHBondContact O-OG1 3.38Å
307E94.2Very high95.6Very high35 Ų3543.8 Ų43.816%0.16420%0.195CC..SBendtrans-77.1-28.5178.5-64.3-173.1-167.500112.4K301 T310 F340 N342 T343K301-E307 IonicContact NZ-OE1 3.7Å; K301-E307 PolarHBondContact NZ-OE1 2.86Å; E307-T310 WeakPolarHBondContact O-CB 3.09Å; E307-T310 PolarHBondContact O-N 3.11Å; E307-F340 HydrophobicContact CG-CD1 4.17Å; E307-N342 HydrophobicContact CB-CB 4.33Å; E307-N342 WeakPolarHBondContact OE2-CA 3.43Å; E307-N342 VanDerWaalsContact OE2-CB 3.25Å; E307-N342 WeakPolarHBondContact OE2-CB 3.31Å; E307-N342 PolarHBondContact OE2-N 3.11Å; E307-N342 PolarHBondContact OE2-ND2 3.28Å; E307-T343 WeakPolarHBondContact CB-OG1 3.15Å; E307-T343 WeakPolarHBondContact CG-OG1 3.36Å
308R91.3Very high95.4Very high182 Ų18246.9 Ų46.969%0.68721%0.213SC*.THydrogen-bonded Turntrans-67.9136.7175.7-173.8178.4-178.3178.12.6110.3T310 H386R308-T310 PolarHBondContact O-N 2.86Å; R308-H386 PolarHBondContact O-CE1 3.35Å; R308-H386 VanDerWaalsContact O-CE1 3.23Å; R308-H386 PolarHBondContact O-ND1 2.76Å
309N91.6Very high95.2Very high43 Ų4342.6 Ų42.623%0.2321%0.206CC..THydrogen-bonded Turntrans57.628.7-176.1-59.1-15000113.1H386 F387 G388N309-H386 PolarHBondContact O-ND1 3Å; N309-F387 PolarHBondContact O-N 3.28Å; N309-G388 WeakPolarHBondContact CB-O 3.27Å; N309-G388 PolarHBondContact ND2-O 2.73Å
310T95.6Very high95.1Very high1 Ų138.4 Ų38.41%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-120.2143.1177.6-640000109.8I305 P306 E307 R308 T343 L384 V385 H386I305-T310 HydrophobicContact CG2-CG2 3.95Å; P306-T310 VanDerWaalsContact O-CB 3.26Å; P306-T310 WeakPolarHBondContact O-CB 3.22Å; P306-T310 PolarHBondContact O-OG1 3.38Å; E307-T310 WeakPolarHBondContact O-CB 3.09Å; E307-T310 PolarHBondContact O-N 3.11Å; R308-T310 PolarHBondContact O-N 2.86Å; T310-T343 HydrophobicContact CG2-CG2 4.09Å; T310-L384 HydrophobicContact CG2-CB 4.23Å; T310-L384 HydrophobicContact CG2-CD2 4.08Å; T310-V385 VanDerWaalsContact CA-O 3.31Å; T310-V385 WeakPolarHBondContact CA-O 3.39Å; T310-H386 WeakPolarHBondContact OG1-CB 3.46Å; T310-H386 PolarHBondContact OG1-ND1 2.73Å
311L97.5Very high95Very high0 Ų038.4 Ų38.40%019%0.191CC..EExtended strand (participates in β ladder)trans-114140.2170.3-67.8-175.2000110.3L64 V174 F313 P344 F346 L384 V385 F387L64-L311 HydrophobicContact CD1-CD1 3.75Å; L64-L311 HydrophobicContact CD1-CD2 4.1Å; L64-L311 HydrophobicContact CD1-CG 3.74Å; L64-L311 HydrophobicContact CD2-CD1 4.25Å; L64-L311 HydrophobicContact CD2-CD2 3.51Å; L64-L311 HydrophobicContact CD2-CG 4.1Å; L64-L311 HydrophobicContact CG-CD2 4.46Å; V174-L311 HydrophobicContact CG1-CD1 3.53Å; V174-L311 HydrophobicContact CG2-CD1 4.4Å; L311-F313 HydrophobicContact CB-CD2 4.42Å; L311-F313 HydrophobicContact CB-CE2 3.8Å; L311-F313 HydrophobicContact CB-CZ 4.16Å; L311-F313 HydrophobicContact CD1-CE2 4.27Å; L311-F313 HydrophobicContact CD1-CZ 3.87Å; L311-P344 HydrophobicContact CD2-CG 3.53Å; L311-F346 HydrophobicContact CD2-CD2 4.11Å; L311-F346 HydrophobicContact CD2-CE2 3.8Å; L311-L384 WeakPolarHBondContact O-CA 3.4Å; L311-V385 PolarHBondContact N-O 2.67Å; L311-V385 PolarHBondContact O-N 2.67Å; L311-F387 HydrophobicContact CB-CE2 4.08Å; L311-F387 HydrophobicContact CD1-CE2 3.86Å; L311-F387 HydrophobicContact CD1-CZ 4.24Å; L311-F387 HydrophobicContact CG-CE2 3.84Å
312G98.3Very high94.9Very high0 Ų036.4 Ų36.40%018%0.183CC..EExtended strand (participates in β ladder)trans-85138.9161.500000110.2P344 L345 F346 T383G312-P344 PolarHBondContact N-O 2.8Å; G312-L345 WeakPolarHBondContact O-CA 3.23Å; G312-F346 PolarHBondContact O-N 2.97Å; G312-T383 CarbonylContact C-O 3.34Å; G312-T383 VanDerWaalsContact CA-O 3.28Å; G312-T383 WeakPolarHBondContact CA-O 3.44Å
313F98.6Very high94.9Very high6 Ų640.4 Ų40.43%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-121133.8166.2-65.7-83.1000111.7L99 L311 F315 F346 T383 V385L99-F313 HydrophobicContact CD2-CE1 3.94Å; L99-F313 HydrophobicContact CD2-CZ 4.39Å; L311-F313 HydrophobicContact CB-CD2 4.42Å; L311-F313 HydrophobicContact CB-CE2 3.8Å; L311-F313 HydrophobicContact CB-CZ 4.16Å; L311-F313 HydrophobicContact CD1-CE2 4.27Å; L311-F313 HydrophobicContact CD1-CZ 3.87Å; F313-F315 HydrophobicContact CB-CD2 4.43Å; F313-F315 HydrophobicContact CB-CE1 4.43Å; F313-F315 HydrophobicContact CB-CE2 3.58Å; F313-F315 HydrophobicContact CB-CZ 3.59Å; F313-F315 HydrophobicContact CD1-CZ 4.09Å; F313-F315 HydrophobicContact CG-CE2 4.39Å; F313-F315 HydrophobicContact CG-CZ 4.01Å; F313-F346 CarbonylContact C-O 3.28Å; F313-F346 WeakPolarHBondContact CA-O 3.19Å; F313-F346 HydrophobicContact CD1-CB 4.36Å; F313-F346 HydrophobicContact CE1-CB 4.38Å; F313-T383 PolarHBondContact N-O 2.97Å; F313-T383 PolarHBondContact O-N 3.29Å; F313-V385 HydrophobicContact CD2-CB 4.39Å; F313-V385 HydrophobicContact CD2-CG2 3.81Å; F313-V385 HydrophobicContact CE2-CB 4.09Å; F313-V385 HydrophobicContact CE2-CG2 3.87Å
314M98.5Very high95Very high0 Ų042.5 Ų42.50%020%0.204CC..EExtended strand (participates in β ladder)trans-117.3113.2174.8177.7172.9164.300109.5V151 E164 A316 E332 L345 F346 G347 L348 F349 T380 M382V151-M314 HydrophobicContact CB-CB 4.45Å; V151-M314 HydrophobicContact CB-SD 4.49Å; V151-M314 HydrophobicContact CG1-CB 4.31Å; V151-M314 HydrophobicContact CG1-SD 4.06Å; V151-M314 HydrophobicContact CG2-CB 4.37Å; V151-M314 HydrophobicContact CG2-CE 4.18Å; V151-M314 HydrophobicContact CG2-CG 4.16Å; V151-M314 HydrophobicContact CG2-SD 3.82Å; E164-M314 HydrophobicContact CG-CE 4.28Å; M314-A316 HydrophobicContact CE-CB 3.73Å; M314-A316 HydrophobicContact CG-CB 4.46Å; M314-E332 HydrophobicContact CE-CB 3.71Å; M314-E332 HydrophobicContact CE-CG 4.48Å; M314-E332 HydrophobicContact SD-CB 4.1Å; M314-L345 HydrophobicContact CB-CD1 3.98Å; M314-L345 HydrophobicContact CB-CD2 4.27Å; M314-L345 HydrophobicContact CB-CG 4.25Å; M314-L345 HydrophobicContact SD-CD2 4.34Å; M314-F346 PolarHBondContact N-O 3.41Å; M314-G347 CarbonylContact O-C 3.58Å; M314-G347 VanDerWaalsContact O-CA 3.27Å; M314-G347 WeakPolarHBondContact O-CA 3.44Å; M314-L348 PolarHBondContact O-N 3.29Å; M314-F349 HydrophobicContact CE-CE1 4.47Å; M314-F349 HydrophobicContact CE-CZ 4.13Å; M314-T380 HydrophobicContact CE-CG2 4.36Å; M314-T380 HydrophobicContact CG-CG2 3.63Å; M314-M382 HydrophobicContact CB-CE 4.18Å; M314-M382 HydrophobicContact CB-SD 4.07Å; M314-M382 HydrophobicContact CG-CE 4.03Å; M314-M382 HydrophobicContact SD-CE 4.05Å
315F98.3Very high95.1Very high1 Ų132.4 Ų32.40%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-112.598.4174-52.6-68.4000108.4V214 F216 A244 G245 F313 L348 E353 T380 V381V214-F315 HydrophobicContact CG1-CZ 3.89Å; F216-F315 HydrophobicContact CE1-CD1 4.34Å; F216-F315 AromaticContact CE1-CE1 3.7Å; F216-F315 HydrophobicContact CE1-CE1 3.7Å; F216-F315 HydrophobicContact CE1-CZ 4.47Å; F216-F315 HydrophobicContact CZ-CE1 4.17Å; A244-F315 HydrophobicContact CB-CD2 4.03Å; A244-F315 HydrophobicContact CB-CE2 3.61Å; G245-F315 WeakPolarHBondContact O-CB 3.41Å; G245-F315 WeakPolarHBondContact O-CG 3.17Å; F313-F315 HydrophobicContact CB-CD2 4.43Å; F313-F315 HydrophobicContact CB-CE1 4.43Å; F313-F315 HydrophobicContact CB-CE2 3.58Å; F313-F315 HydrophobicContact CB-CZ 3.59Å; F313-F315 HydrophobicContact CD1-CZ 4.09Å; F313-F315 HydrophobicContact CG-CE2 4.39Å; F313-F315 HydrophobicContact CG-CZ 4.01Å; F315-L348 HydrophobicContact CD1-CD2 3.98Å; F315-L348 HydrophobicContact CD1-CG 3.95Å; F315-L348 HydrophobicContact CE1-CD2 4.33Å; F315-E353 VanDerWaalsContact O-CG 3.31Å; F315-E353 WeakPolarHBondContact O-CG 3.37Å; F315-T380 CarbonylContact O-C 3.56Å; F315-T380 VanDerWaalsContact O-CA 3.23Å; F315-T380 WeakPolarHBondContact O-CA 3.27Å; F315-T380 WeakPolarHBondContact O-CG2 3.4Å; F315-V381 HydrophobicContact CB-CB 4.46Å; F315-V381 HydrophobicContact CD2-CB 4.49Å; F315-V381 PolarHBondContact N-O 3.32Å; F315-V381 PolarHBondContact O-N 3.06Å
316A97.6Very high95.1Very high1 Ų138.8 Ų38.81%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-107.5146.5-17300000111.8M314 L348 F349 G350 T380M314-A316 HydrophobicContact CE-CB 3.73Å; M314-A316 HydrophobicContact CG-CB 4.46Å; A316-L348 PolarHBondContact N-O 2.87Å; A316-F349 HydrophobicContact CB-CD1 3.77Å; A316-F349 HydrophobicContact CB-CE1 3.85Å; A316-F349 HydrophobicContact CB-CG 4.43Å; A316-F349 CarbonylContact O-C 3.44Å; A316-F349 VanDerWaalsContact O-CA 3.23Å; A316-F349 WeakPolarHBondContact O-CA 3.31Å; A316-G350 PolarHBondContact O-N 2.9Å; A316-T380 WeakPolarHBondContact CA-OG1 3.48Å; A316-T380 HydrophobicContact CB-CG2 4.01Å; A316-T380 WeakPolarHBondContact CB-OG1 3.39Å
317C96.3Very high95Very high10 Ų1041.2 Ų41.27%0.06821%0.205CC..EExtended strand (participates in β ladder)trans-65.4145.5168.9-158.20000110.8G319 R320 G350 E353 Y378 T379C317-G319 PolarHBondContact O-N 3.08Å; C317-G319 VanDerWaalsContact O-N 3.16Å; C317-R320 HydrophobicContact CB-CG 3.58Å; C317-R320 WeakPolarHBondContact O-CB 3.48Å; C317-R320 WeakPolarHBondContact O-CG 3.22Å; C317-R320 PolarHBondContact O-N 3.39Å; C317-G350 CarbonylContact C-O 3.55Å; C317-G350 WeakPolarHBondContact CA-O 3.48Å; C317-E353 WeakPolarHBondContact CA-OE1 3.36Å; C317-E353 WeakPolarHBondContact CB-OE1 3.37Å; C317-E353 PolarHBondContact N-OE1 3.08Å; C317-E353 PolarHBondContact SG-OE1 2.94Å; C317-E353 VanDerWaalsContact SG-OE1 3.38Å; C317-Y378 PolarHBondContact SG-N 3.35Å; C317-Y378 VanDerWaalsContact SG-N 3.43Å; C317-T379 PolarHBondContact N-O 3.06Å
318V94Very high95.1Very high65 Ų6544.8 Ų44.839%0.39422%0.221SC..THydrogen-bonded Turntrans-58.6-23.2166.2-70.40000112.9P148 R320 F349 G350P148-V318 HydrophobicContact CB-CG1 3.6Å; P148-V318 HydrophobicContact CG-CG1 3.87Å; V318-R320 PolarHBondContact O-N 3.49Å; V318-F349 HydrophobicContact CG1-CB 4.28Å; V318-G350 PolarHBondContact N-O 2.73Å
319G92.4Very high95.3Very high29 Ų2941.8 Ų41.830%0.29922%0.215SC..THydrogen-bonded Turntrans-71.3-2.8171.600000114.8C317C317-G319 PolarHBondContact O-N 3.08Å; C317-G319 VanDerWaalsContact O-N 3.16Å
320R94.3Very high95.6Very high1 Ų140.9 Ų40.90%0.00421%0.21CC..SBendtrans-102.5-163.6-177.3-56.2-104.6-78.5-167.613.8111.2Q166 L283 D284 C317 V318 E332 Y378 T379 T380Q166-R320 PolarHBondContact NE2-O 2.75Å; L283-R320 PolarHBondContact O-NH1 3.19Å; L283-R320 PolarHBondContact O-NH2 3.24Å; D284-R320 PolarHBondContact O-NH1 2.78Å; C317-R320 HydrophobicContact CB-CG 3.58Å; C317-R320 WeakPolarHBondContact O-CB 3.48Å; C317-R320 WeakPolarHBondContact O-CG 3.22Å; C317-R320 PolarHBondContact O-N 3.39Å; V318-R320 PolarHBondContact O-N 3.49Å; R320-E332 IonicContact CZ-OE1 2.89Å; R320-E332 IonicContact CZ-OE2 2.64Å; R320-E332 IonicContact NE-OE1 3.15Å; R320-E332 PolarHBondContact NE-OE1 3.1Å; R320-E332 VanDerWaalsContact NE-OE1 3.15Å; R320-E332 IonicContact NE-OE2 3.9Å; R320-E332 IonicContact NH2-OE1 3.91Å; R320-E332 PolarHBondContact NH2-OE1 3.08Å; R320-E332 IonicContact NH2-OE2 3.63Å; R320-E332 PolarHBondContact NH2-OE2 3.32Å; R320-Y378 WeakPolarHBondContact CD-O 3.16Å; R320-T379 PolarHBondContact NE-O 3.38Å; R320-T380 PolarHBondContact NE-OG1 3.11Å; R320-T380 PolarHBondContact NH2-OG1 2.69Å
321G94.4Very high95.7Very high1 Ų141.2 Ų41.21%0.0121%0.212CC..THydrogen-bonded Turntrans71.9-145.3176.800000112.3N323 Y324 Y325G321-N323 PolarHBondContact O-N 3.3Å; G321-Y324 WeakPolarHBondContact O-CB 3.22Å; G321-Y324 PolarHBondContact O-N 2.98Å; G321-Y325 VanDerWaalsContact O-CD2 3.23Å; G321-Y325 WeakPolarHBondContact O-CD2 3.2Å; G321-Y325 PolarHBondContact O-N 2.89Å
322Q93.3Very high95.8Very high45 Ų4541.2 Ų41.221%0.2121%0.212CC..THydrogen-bonded Turntrans-48.9-51.9-167.9179-175.4000114.2Y324 Y325 N327 Q328 H329Q322-Y324 VanDerWaalsContact C-N 3.32Å; Q322-Y324 PolarHBondContact O-N 3.24Å; Q322-Y325 CarbonylContact O-C 3.46Å; Q322-Y325 PolarHBondContact O-N 3.21Å; Q322-N327 VanDerWaalsContact O-CA 3.26Å; Q322-N327 WeakPolarHBondContact O-CA 3.33Å; Q322-N327 PolarHBondContact O-N 2.94Å; Q322-Q328 WeakPolarHBondContact CA-O 3.39Å; Q322-H329 PolarHBondContact NE2-CE1 3.38Å; Q322-H329 PolarHBondContact NE2-NE2 3.02Å; Q322-H329 VanDerWaalsContact NE2-NE2 3.11Å; Q322-H329 PolarHBondContact OE1-CE1 2.6Å; Q322-H329 PolarHBondContact OE1-ND1 3.26Å
323N91.1Very high95.8Very high127 Ų12741.2 Ų41.268%0.67921%0.212SC*.THydrogen-bonded Turntrans-67.1-36.4-175.7-70-26.5000111.9G321G321-N323 PolarHBondContact O-N 3.3Å
324Y95.1Very high95.8Very high54 Ų5444.8 Ų44.821%0.21223%0.232CC..THydrogen-bonded Turntrans-67.7-38.6177.2179-91.2000111.6Q285 V287 G321 Q322 H326Q285-Y324 VanDerWaalsContact C-OH 3.27Å; Q285-Y324 PolarHBondContact O-OH 3.46Å; V287-Y324 VanDerWaalsContact O-CE1 3.28Å; V287-Y324 WeakPolarHBondContact O-CE1 3.18Å; V287-Y324 PolarHBondContact O-OH 3.28Å; G321-Y324 WeakPolarHBondContact O-CB 3.22Å; G321-Y324 PolarHBondContact O-N 2.98Å; Q322-Y324 VanDerWaalsContact C-N 3.32Å; Q322-Y324 PolarHBondContact O-N 3.24Å; Y324-H326 VanDerWaalsContact C-N 3.31Å; Y324-H326 PolarHBondContact O-N 2.84Å
325Y96Very high95.8Very high3 Ų345 Ų451%0.01223%0.234CC..THydrogen-bonded Turntrans-91.535.6178.9-64.4-72000114.3V287 G288 G321 Q322 N327 Q328 V331 E332V287-Y325 WeakPolarHBondContact O-CE1 3.47Å; V287-Y325 PolarHBondContact O-OH 3.27Å; G288-Y325 WeakPolarHBondContact O-CD1 3.32Å; G321-Y325 VanDerWaalsContact O-CD2 3.23Å; G321-Y325 WeakPolarHBondContact O-CD2 3.2Å; G321-Y325 PolarHBondContact O-N 2.89Å; Q322-Y325 CarbonylContact O-C 3.46Å; Q322-Y325 PolarHBondContact O-N 3.21Å; Y325-N327 PolarHBondContact O-N 2.85Å; Y325-Q328 VanDerWaalsContact O-CB 3.32Å; Y325-Q328 WeakPolarHBondContact O-CB 2.85Å; Y325-Q328 WeakPolarHBondContact O-CG 3.28Å; Y325-Q328 PolarHBondContact O-N 3.25Å; Y325-Q328 VanDerWaalsContact O-N 3.09Å; Y325-V331 HydrophobicContact CD1-CB 4.32Å; Y325-V331 HydrophobicContact CD1-CG1 3.8Å; Y325-V331 HydrophobicContact CD1-CG2 4.44Å; Y325-V331 HydrophobicContact CD2-CB 3.72Å; Y325-V331 HydrophobicContact CD2-CG1 4.02Å; Y325-V331 HydrophobicContact CD2-CG2 4.03Å; Y325-V331 HydrophobicContact CE1-CG1 3.84Å; Y325-V331 HydrophobicContact CE2-CB 4.05Å; Y325-V331 HydrophobicContact CE2-CG1 4.09Å; Y325-V331 HydrophobicContact CG-CB 3.88Å; Y325-V331 HydrophobicContact CG-CG1 3.89Å; Y325-V331 HydrophobicContact CG-CG2 3.83Å; Y325-E332 HydrophobicContact CE2-CG 3.77Å; Y325-E332 VanDerWaalsContact CE2-OE1 3.26Å; Y325-E332 WeakPolarHBondContact CE2-OE1 3.44Å; Y325-E332 VanDerWaalsContact OH-CD 3.3Å; Y325-E332 VanDerWaalsContact OH-CG 3.3Å; Y325-E332 WeakPolarHBondContact OH-CG 3.41Å; Y325-E332 PolarHBondContact OH-OE1 3.06Å
326H93.8Very high95.8Very high152 Ų15245 Ų4570%0.70423%0.234SC*.THydrogen-bonded Turntrans54.847175.8-53.597.5000113.7Y324 Q328Y324-H326 VanDerWaalsContact C-N 3.31Å; Y324-H326 PolarHBondContact O-N 2.84Å; H326-Q328 VanDerWaalsContact C-N 3.28Å; H326-Q328 PolarHBondContact O-N 2.91Å
327N93.5Very high95.8Very high110 Ų11046.9 Ų46.959%0.58824%0.242SC*.THydrogen-bonded Turntrans68.814-177-57.8-53000115.8Q322 Y325Q322-N327 VanDerWaalsContact O-CA 3.26Å; Q322-N327 WeakPolarHBondContact O-CA 3.33Å; Q322-N327 PolarHBondContact O-N 2.94Å; Y325-N327 PolarHBondContact O-N 2.85Å
328Q96.3Very high95.9Very high109 Ų10952.9 Ų52.951%0.50927%0.267SS..  trans-83122.7170.3-65.9176.458.400110.1Q322 Y325 H326 V331Q322-Q328 WeakPolarHBondContact CA-O 3.39Å; Y325-Q328 VanDerWaalsContact O-CB 3.32Å; Y325-Q328 WeakPolarHBondContact O-CB 2.85Å; Y325-Q328 WeakPolarHBondContact O-CG 3.28Å; Y325-Q328 PolarHBondContact O-N 3.25Å; Y325-Q328 VanDerWaalsContact O-N 3.09Å; H326-Q328 VanDerWaalsContact C-N 3.28Å; H326-Q328 PolarHBondContact O-N 2.91Å; Q328-V331 HydrophobicContact CB-CG2 3.56Å
329H95.3Very high96.1Very high120 Ų12050.4 Ų50.456%0.55625%0.252SS*.  trans-81.8157.6175.8-62-94.4000111.6Q322 V331Q322-H329 PolarHBondContact NE2-CE1 3.38Å; Q322-H329 PolarHBondContact NE2-NE2 3.02Å; Q322-H329 VanDerWaalsContact NE2-NE2 3.11Å; Q322-H329 PolarHBondContact OE1-CE1 2.6Å; Q322-H329 PolarHBondContact OE1-ND1 3.26Å; H329-V331 PolarHBondContact O-N 2.97Å; H329-V331 VanDerWaalsContact O-N 3.14Å
330N97.3Very high96.3Very high24 Ų2449.2 Ų49.213%0.12824%0.239CC..SBendtrans62.919.2165.6-142.253.4000115.7P162 K163 E164 E332 D334P162-N330 PolarHBondContact O-ND2 3.24Å; P162-N330 PolarHBondContact O-OD1 3.06Å; K163-N330 VanDerWaalsContact CA-OD1 3.23Å; K163-N330 WeakPolarHBondContact CA-OD1 3.37Å; E164-N330 VanDerWaalsContact CD-CA 3.43Å; E164-N330 PolarHBondContact N-OD1 3.37Å; E164-N330 VanDerWaalsContact OE1-C 3.3Å; E164-N330 WeakPolarHBondContact OE2-CA 3.41Å; E164-N330 PolarHBondContact OE2-N 2.77Å; N330-E332 PolarHBondContact O-N 2.79Å; N330-D334 PolarHBondContact ND2-OD1 2.99Å; N330-D334 WeakPolarHBondContact O-CB 3.38Å; N330-D334 PolarHBondContact O-N 2.64Å
331V98.2Very high96.5Very high8 Ų851.7 Ų51.75%0.04826%0.255CS..Hα-helixtrans-62.7-45.2-167.8172.20000112.2A290 Y325 Q328 H329 A335A290-V331 HydrophobicContact CB-CG1 3.76Å; Y325-V331 HydrophobicContact CD1-CB 4.32Å; Y325-V331 HydrophobicContact CD1-CG1 3.8Å; Y325-V331 HydrophobicContact CD1-CG2 4.44Å; Y325-V331 HydrophobicContact CD2-CB 3.72Å; Y325-V331 HydrophobicContact CD2-CG1 4.02Å; Y325-V331 HydrophobicContact CD2-CG2 4.03Å; Y325-V331 HydrophobicContact CE1-CG1 3.84Å; Y325-V331 HydrophobicContact CE2-CB 4.05Å; Y325-V331 HydrophobicContact CE2-CG1 4.09Å; Y325-V331 HydrophobicContact CG-CB 3.88Å; Y325-V331 HydrophobicContact CG-CG1 3.89Å; Y325-V331 HydrophobicContact CG-CG2 3.83Å; Q328-V331 HydrophobicContact CB-CG2 3.56Å; H329-V331 PolarHBondContact O-N 2.97Å; H329-V331 VanDerWaalsContact O-N 3.14Å; V331-A335 VanDerWaalsContact O-CB 3.28Å; V331-A335 WeakPolarHBondContact O-CB 3.47Å; V331-A335 PolarHBondContact O-N 3.31Å
332E98.4Very high96.5Very high0 Ų055.7 Ų55.70%028%0.276CS..Hα-helixtrans-81.8-36.6-175.2-66.7-179.6-160.200111.5E164 L283 A293 M314 R320 Y325 N330 A335 F336 T380 M382E164-E332 PolarHBondContact OE1-N 2.74Å; E164-E332 VanDerWaalsContact OE1-N 3.16Å; L283-E332 HydrophobicContact CD2-CG 3.95Å; A293-E332 HydrophobicContact CB-CG 4.43Å; M314-E332 HydrophobicContact CE-CB 3.71Å; M314-E332 HydrophobicContact CE-CG 4.48Å; M314-E332 HydrophobicContact SD-CB 4.1Å; R320-E332 IonicContact CZ-OE1 2.89Å; R320-E332 IonicContact CZ-OE2 2.64Å; R320-E332 IonicContact NE-OE1 3.15Å; R320-E332 PolarHBondContact NE-OE1 3.1Å; R320-E332 VanDerWaalsContact NE-OE1 3.15Å; R320-E332 IonicContact NE-OE2 3.9Å; R320-E332 IonicContact NH2-OE1 3.91Å; R320-E332 PolarHBondContact NH2-OE1 3.08Å; R320-E332 IonicContact NH2-OE2 3.63Å; R320-E332 PolarHBondContact NH2-OE2 3.32Å; Y325-E332 HydrophobicContact CE2-CG 3.77Å; Y325-E332 VanDerWaalsContact CE2-OE1 3.26Å; Y325-E332 WeakPolarHBondContact CE2-OE1 3.44Å; Y325-E332 VanDerWaalsContact OH-CD 3.3Å; Y325-E332 VanDerWaalsContact OH-CG 3.3Å; Y325-E332 WeakPolarHBondContact OH-CG 3.41Å; Y325-E332 PolarHBondContact OH-OE1 3.06Å; N330-E332 PolarHBondContact O-N 2.79Å; E332-A335 PolarHBondContact O-N 2.89Å; E332-F336 WeakPolarHBondContact O-CB 3.38Å; E332-F336 PolarHBondContact O-N 3.18Å; E332-T380 WeakPolarHBondContact OE2-CB 3.48Å; E332-T380 VanDerWaalsContact OE2-CG2 3.27Å; E332-T380 WeakPolarHBondContact OE2-CG2 3.43Å; E332-T380 PolarHBondContact OE2-OG1 3.27Å; E332-M382 HydrophobicContact CB-CE 4.44Å
333A98.4Very high96.7Very high0 Ų053.6 Ų53.60%027%0.267CS..Hα-helixtrans-64.2-41.317300000112.2V151 P162 E164 F336 H337 L345V151-A333 HydrophobicContact CG1-CB 4.45Å; P162-A333 HydrophobicContact CB-CB 4.36Å; P162-A333 HydrophobicContact CG-CB 4.07Å; E164-A333 HydrophobicContact CG-CB 3.78Å; E164-A333 WeakPolarHBondContact OE1-CB 3.36Å; E164-A333 PolarHBondContact OE1-N 2.91Å; A333-F336 WeakPolarHBondContact O-CB 3.28Å; A333-F336 PolarHBondContact O-N 3.07Å; A333-H337 WeakPolarHBondContact O-CB 3.23Å; A333-H337 PolarHBondContact O-N 3.27Å; A333-L345 HydrophobicContact CB-CD2 3.97Å
334D98.6Very high97Very high80 Ų8047.6 Ų47.643%0.42824%0.235SC..Hα-helixtrans-67.1-41.7174.6-77.4-16.6000111.4N330 F336 H337 K338N330-D334 PolarHBondContact ND2-OD1 2.99Å; N330-D334 WeakPolarHBondContact O-CB 3.38Å; N330-D334 PolarHBondContact O-N 2.64Å; D334-F336 VanDerWaalsContact C-N 3.3Å; D334-F336 PolarHBondContact O-N 2.82Å; D334-H337 PolarHBondContact O-N 2.88Å; D334-K338 VanDerWaalsContact O-CB 3.29Å; D334-K338 WeakPolarHBondContact O-CB 3.37Å; D334-K338 PolarHBondContact O-N 3.29Å
335A98.6Very high97.1Very high6 Ų645 Ų455%0.0523%0.225CC..Hα-helixtrans-58.7-43.2173.800000111.5A293 E294 V331 E332 V339A293-A335 HydrophobicContact CB-CB 3.98Å; E294-A335 HydrophobicContact CB-CB 4.14Å; V331-A335 VanDerWaalsContact O-CB 3.28Å; V331-A335 WeakPolarHBondContact O-CB 3.47Å; V331-A335 PolarHBondContact O-N 3.31Å; E332-A335 PolarHBondContact O-N 2.89Å; A335-V339 VanDerWaalsContact O-CG2 3.32Å; A335-V339 WeakPolarHBondContact O-CG2 3.16Å; A335-V339 PolarHBondContact O-N 3.02Å
336F98.6Very high97.3Very high0 Ų044.9 Ų44.90%022%0.224CC..Hα-helixtrans-59.6-54.4173-178.2-89.8000112.2V297 E332 A333 D334 K338 V339 F340 T343 L345 M382 L384V297-F336 HydrophobicContact CG1-CB 4.46Å; V297-F336 HydrophobicContact CG1-CD2 4.19Å; E332-F336 WeakPolarHBondContact O-CB 3.38Å; E332-F336 PolarHBondContact O-N 3.18Å; A333-F336 WeakPolarHBondContact O-CB 3.28Å; A333-F336 PolarHBondContact O-N 3.07Å; D334-F336 VanDerWaalsContact C-N 3.3Å; D334-F336 PolarHBondContact O-N 2.82Å; F336-K338 VanDerWaalsContact C-N 3.28Å; F336-K338 PolarHBondContact O-N 3.09Å; F336-V339 PolarHBondContact O-N 3.26Å; F336-F340 HydrophobicContact CD2-CD2 4.07Å; F336-F340 HydrophobicContact CE1-CB 4.01Å; F336-F340 AromaticContact CE2-CD2 3.8Å; F336-F340 HydrophobicContact CE2-CD2 3.8Å; F336-F340 HydrophobicContact CE2-CE2 4.42Å; F336-F340 HydrophobicContact CE2-CG 4.38Å; F336-F340 HydrophobicContact CZ-CB 4.01Å; F336-F340 HydrophobicContact CZ-CD2 4.13Å; F336-F340 HydrophobicContact CZ-CG 4.27Å; F336-F340 PolarHBondContact O-N 3.23Å; F336-T343 HydrophobicContact CE1-CG2 4.18Å; F336-T343 HydrophobicContact CZ-CG2 3.85Å; F336-L345 HydrophobicContact CB-CD2 3.9Å; F336-L345 HydrophobicContact CD1-CB 3.78Å; F336-L345 HydrophobicContact CD1-CD1 3.91Å; F336-L345 HydrophobicContact CD1-CD2 3.89Å; F336-L345 HydrophobicContact CD1-CG 4.08Å; F336-L345 HydrophobicContact CD2-CD1 4.12Å; F336-L345 HydrophobicContact CE1-CB 3.87Å; F336-L345 HydrophobicContact CE1-CD1 3.98Å; F336-L345 HydrophobicContact CE1-CG 4.39Å; F336-L345 HydrophobicContact CE2-CD1 4.18Å; F336-L345 HydrophobicContact CG-CD1 3.97Å; F336-L345 HydrophobicContact CG-CD2 3.94Å; F336-L345 HydrophobicContact CG-CG 4.39Å; F336-L345 HydrophobicContact CZ-CD1 4.11Å; F336-M382 HydrophobicContact CB-CE 4.08Å; F336-M382 HydrophobicContact CB-SD 4.17Å; F336-M382 HydrophobicContact CD2-CE 4.39Å; F336-M382 HydrophobicContact CD2-CG 3.76Å; F336-M382 HydrophobicContact CD2-SD 3.43Å; F336-M382 WeakPolarHBondContact CD2-SD 3.3Å; F336-M382 HydrophobicContact CE2-CG 4.28Å; F336-M382 HydrophobicContact CE2-SD 4.11Å; F336-M382 HydrophobicContact CG-SD 4.03Å; F336-L384 HydrophobicContact CE2-CD2 3.73Å; F336-L384 HydrophobicContact CZ-CD2 3.71Å
337H98.2Very high97.5Very high40 Ų4037.7 Ų37.719%0.18519%0.19CC..Hα-helixtrans-62.5-36.1-175.8-173.460.5000112.5T159 P162 A333 D334 V339 F340 P341T159-H337 PolarHBondContact O-CE1 3.18Å; P162-H337 HydrophobicContact CG-CB 3.97Å; A333-H337 WeakPolarHBondContact O-CB 3.23Å; A333-H337 PolarHBondContact O-N 3.27Å; D334-H337 PolarHBondContact O-N 2.88Å; H337-V339 VanDerWaalsContact C-N 3.26Å; H337-V339 PolarHBondContact O-N 2.91Å; H337-F340 CarbonylContact O-C 3.37Å; H337-F340 VanDerWaalsContact O-C 3.31Å; H337-F340 PolarHBondContact O-N 2.92Å; H337-P341 PolarHBondContact CE1-O 3.38Å; H337-P341 WeakPolarHBondContact O-CA 3.4Å; H337-P341 VanDerWaalsContact O-N 3.13Å
338K98.1Very high97.6Very high136 Ų13632.5 Ų32.559%0.59116%0.163SC*.Hα-helixtrans-61.7-34.2174.2-175.5172.5175.6-172.10112.7E294 D334 F336E294-K338 VanDerWaalsContact CD-NZ 3.33Å; E294-K338 HydrophobicContact CG-CD 4.41Å; E294-K338 VanDerWaalsContact OE1-CE 3.27Å; E294-K338 WeakPolarHBondContact OE1-CE 3.42Å; E294-K338 IonicContact OE1-NZ 3.58Å; E294-K338 PolarHBondContact OE1-NZ 3.35Å; E294-K338 WeakPolarHBondContact OE2-CD 3.44Å; E294-K338 VanDerWaalsContact OE2-CE 3.31Å; E294-K338 WeakPolarHBondContact OE2-CE 3.39Å; E294-K338 IonicContact OE2-NZ 2.73Å; E294-K338 PolarHBondContact OE2-NZ 3.32Å; D334-K338 VanDerWaalsContact O-CB 3.29Å; D334-K338 WeakPolarHBondContact O-CB 3.37Å; D334-K338 PolarHBondContact O-N 3.29Å; F336-K338 VanDerWaalsContact C-N 3.28Å; F336-K338 PolarHBondContact O-N 3.09Å
339V98.3Very high97.6Very high14 Ų1427.4 Ų27.49%0.08514%0.139CC..Hα-helixtrans-85.2-36.5179.1178.30000111.3E294 V297 R298 K301 A335 F336 H337E294-V339 HydrophobicContact CG-CG2 4.05Å; V297-V339 HydrophobicContact CB-CG2 4.4Å; V297-V339 HydrophobicContact CG1-CB 3.82Å; V297-V339 HydrophobicContact CG1-CG1 4.11Å; V297-V339 HydrophobicContact CG1-CG2 3.85Å; R298-V339 HydrophobicContact CB-CG1 4.49Å; R298-V339 HydrophobicContact CB-CG2 4.33Å; K301-V339 HydrophobicContact CD-CG1 4.44Å; K301-V339 WeakPolarHBondContact CE-O 3.12Å; K301-V339 HydrophobicContact CG-CG1 3.97Å; K301-V339 PolarHBondContact NZ-O 2.93Å; A335-V339 VanDerWaalsContact O-CG2 3.32Å; A335-V339 WeakPolarHBondContact O-CG2 3.16Å; A335-V339 PolarHBondContact O-N 3.02Å; F336-V339 PolarHBondContact O-N 3.26Å; H337-V339 VanDerWaalsContact C-N 3.26Å; H337-V339 PolarHBondContact O-N 2.91Å
340F97.6Very high97.5Very high3 Ų321.7 Ų21.71%0.01311%0.113CC..  trans-127.772.7-176.2-62.4-82.2000111.6V297 L300 K301 E307 F336 H337 N342 T343 L384V297-F340 HydrophobicContact CG1-CD2 4.26Å; V297-F340 HydrophobicContact CG1-CE2 4.08Å; L300-F340 HydrophobicContact CB-CE2 3.8Å; L300-F340 HydrophobicContact CB-CZ 3.59Å; L300-F340 HydrophobicContact CD1-CE2 4.05Å; K301-F340 HydrophobicContact CD-CD1 4.32Å; K301-F340 HydrophobicContact CD-CE1 3.54Å; K301-F340 HydrophobicContact CD-CZ 3.78Å; K301-F340 HydrophobicContact CG-CE1 4.22Å; K301-F340 HydrophobicContact CG-CZ 3.92Å; K301-F340 VanDerWaalsContact NZ-CD1 3.3Å; E307-F340 HydrophobicContact CG-CD1 4.17Å; F336-F340 HydrophobicContact CD2-CD2 4.07Å; F336-F340 HydrophobicContact CE1-CB 4.01Å; F336-F340 AromaticContact CE2-CD2 3.8Å; F336-F340 HydrophobicContact CE2-CD2 3.8Å; F336-F340 HydrophobicContact CE2-CE2 4.42Å; F336-F340 HydrophobicContact CE2-CG 4.38Å; F336-F340 HydrophobicContact CZ-CB 4.01Å; F336-F340 HydrophobicContact CZ-CD2 4.13Å; F336-F340 HydrophobicContact CZ-CG 4.27Å; F336-F340 PolarHBondContact O-N 3.23Å; H337-F340 CarbonylContact O-C 3.37Å; H337-F340 VanDerWaalsContact O-C 3.31Å; H337-F340 PolarHBondContact O-N 2.92Å; F340-N342 VanDerWaalsContact C-N 3.26Å; F340-N342 PolarHBondContact O-N 2.86Å; F340-T343 PolarHBondContact O-N 3.05Å; F340-L384 HydrophobicContact CD1-CD1 4.38Å; F340-L384 HydrophobicContact CE1-CD1 3.68Å; F340-L384 HydrophobicContact CE2-CD1 4.24Å; F340-L384 HydrophobicContact CZ-CD1 3.62Å
341P96.4Very high97.2Very high54 Ų5423.6 Ų23.635%0.35112%0.123SC..THydrogen-bonded Turntrans-69.8-16.9-170.226.8-35.4000114.8H337H337-P341 PolarHBondContact CE1-O 3.38Å; H337-P341 WeakPolarHBondContact O-CA 3.4Å; H337-P341 VanDerWaalsContact O-N 3.13Å
342N95.6Very high96.8Very high84 Ų8423.4 Ų23.445%0.44912%0.122SC..THydrogen-bonded Turntrans-110.410.2178.2-43.5-79.2000113E307 F340E307-N342 HydrophobicContact CB-CB 4.33Å; E307-N342 WeakPolarHBondContact OE2-CA 3.43Å; E307-N342 VanDerWaalsContact OE2-CB 3.25Å; E307-N342 WeakPolarHBondContact OE2-CB 3.31Å; E307-N342 PolarHBondContact OE2-N 3.11Å; E307-N342 PolarHBondContact OE2-ND2 3.28Å; F340-N342 VanDerWaalsContact C-N 3.26Å; F340-N342 PolarHBondContact O-N 2.86Å
343T97Very high96.6Very high2 Ų223.4 Ų23.41%0.01212%0.122CC..SBendtrans-106.4118.6176.1-560000108.5E307 T310 F336 F340 L384E307-T343 WeakPolarHBondContact CB-OG1 3.15Å; E307-T343 WeakPolarHBondContact CG-OG1 3.36Å; T310-T343 HydrophobicContact CG2-CG2 4.09Å; F336-T343 HydrophobicContact CE1-CG2 4.18Å; F336-T343 HydrophobicContact CZ-CG2 3.85Å; F340-T343 PolarHBondContact O-N 3.05Å; T343-L384 HydrophobicContact CG2-CD2 4.12Å
344P97.5Very high96.4Very high1 Ų123.4 Ų23.41%0.00612%0.122CC..  trans-71.5141.7174.331.6-36.4000109.7W66 T153 W158 L311 G312 F346W66-P344 HydrophobicContact CE3-CG 4.5Å; W66-P344 HydrophobicContact CH2-CB 3.75Å; W66-P344 HydrophobicContact CH2-CG 3.8Å; W66-P344 HydrophobicContact CZ2-CB 3.94Å; W66-P344 HydrophobicContact CZ2-CG 4.47Å; W66-P344 HydrophobicContact CZ3-CB 4.17Å; W66-P344 HydrophobicContact CZ3-CG 3.82Å; T153-P344 HydrophobicContact CG2-CB 3.88Å; T153-P344 WeakPolarHBondContact OG1-CA 3.47Å; W158-P344 HydrophobicContact CE3-CG 3.83Å; W158-P344 HydrophobicContact CZ3-CG 3.8Å; L311-P344 HydrophobicContact CD2-CG 3.53Å; G312-P344 PolarHBondContact N-O 2.8Å; P344-F346 HydrophobicContact CB-CE2 3.67Å; P344-F346 HydrophobicContact CB-CZ 3.97Å; P344-F346 HydrophobicContact CG-CE2 3.99Å
345L98.5Very high96.1Very high0 Ų019.6 Ų19.60%010%0.102CC..EExtended strand (participates in β ladder)trans-108.3133.9178.9-175.165.9000110.6V151 L152 T153 P162 G312 M314 A333 F336 M382V151-L345 HydrophobicContact CG1-CD2 3.9Å; V151-L345 HydrophobicContact CG1-CG 4.02Å; L152-L345 CarbonylContact C-O 3.57Å; L152-L345 VanDerWaalsContact C-O 3.3Å; T153-L345 PolarHBondContact N-O 2.8Å; T153-L345 PolarHBondContact OG1-N 3.07Å; T153-L345 PolarHBondContact OG1-O 3.05Å; P162-L345 HydrophobicContact CB-CB 3.77Å; P162-L345 HydrophobicContact CB-CD2 4.15Å; P162-L345 HydrophobicContact CB-CG 4.45Å; P162-L345 HydrophobicContact CG-CB 3.98Å; P162-L345 HydrophobicContact CG-CD2 4.03Å; G312-L345 WeakPolarHBondContact O-CA 3.23Å; M314-L345 HydrophobicContact CB-CD1 3.98Å; M314-L345 HydrophobicContact CB-CD2 4.27Å; M314-L345 HydrophobicContact CB-CG 4.25Å; M314-L345 HydrophobicContact SD-CD2 4.34Å; A333-L345 HydrophobicContact CB-CD2 3.97Å; F336-L345 HydrophobicContact CB-CD2 3.9Å; F336-L345 HydrophobicContact CD1-CB 3.78Å; F336-L345 HydrophobicContact CD1-CD1 3.91Å; F336-L345 HydrophobicContact CD1-CD2 3.89Å; F336-L345 HydrophobicContact CD1-CG 4.08Å; F336-L345 HydrophobicContact CD2-CD1 4.12Å; F336-L345 HydrophobicContact CE1-CB 3.87Å; F336-L345 HydrophobicContact CE1-CD1 3.98Å; F336-L345 HydrophobicContact CE1-CG 4.39Å; F336-L345 HydrophobicContact CE2-CD1 4.18Å; F336-L345 HydrophobicContact CG-CD1 3.97Å; F336-L345 HydrophobicContact CG-CD2 3.94Å; F336-L345 HydrophobicContact CG-CG 4.39Å; F336-L345 HydrophobicContact CZ-CD1 4.11Å; L345-M382 HydrophobicContact CD1-SD 3.77Å
346F98.5Very high95.7Very high0 Ų020 Ų200%010%0.104CC..EExtended strand (participates in β ladder)trans-135162.2175.8-61-75.1000110.8W66 V151 L152 F172 V174 L311 G312 F313 M314 P344W66-F346 HydrophobicContact CB-CE1 4.27Å; W66-F346 HydrophobicContact CB-CZ 3.94Å; W66-F346 AromaticContact CD1-CE1 3.59Å; W66-F346 AromaticContact CD1-CZ 3.47Å; W66-F346 VanDerWaalsContact CD1-CZ 3.47Å; W66-F346 HydrophobicContact CD2-CE1 4.37Å; W66-F346 HydrophobicContact CD2-CE2 4.22Å; W66-F346 AromaticContact CD2-CZ 3.48Å; W66-F346 HydrophobicContact CD2-CZ 3.48Å; W66-F346 VanDerWaalsContact CD2-CZ 3.48Å; W66-F346 AromaticContact CE2-CZ 3.68Å; W66-F346 HydrophobicContact CE3-CE2 4.41Å; W66-F346 HydrophobicContact CE3-CZ 4.1Å; W66-F346 AromaticContact CG-CE1 3.83Å; W66-F346 HydrophobicContact CG-CE1 3.83Å; W66-F346 HydrophobicContact CG-CE2 4.31Å; W66-F346 AromaticContact CG-CZ 3.35Å; W66-F346 HydrophobicContact CG-CZ 3.35Å; W66-F346 HydrophobicContact CZ2-CZ 4.45Å; W66-F346 AromaticContact NE1-CE1 3.98Å; W66-F346 AromaticContact NE1-CZ 3.64Å; V151-F346 CarbonylContact O-C 3.55Å; V151-F346 VanDerWaalsContact O-CA 3.28Å; V151-F346 WeakPolarHBondContact O-CA 3.45Å; L152-F346 HydrophobicContact CB-CD1 4.33Å; F172-F346 HydrophobicContact CB-CD1 4.3Å; F172-F346 HydrophobicContact CD1-CD1 4.13Å; F172-F346 HydrophobicContact CD2-CB 4.38Å; F172-F346 AromaticContact CD2-CD1 3.79Å; F172-F346 HydrophobicContact CD2-CD1 3.79Å; F172-F346 HydrophobicContact CD2-CG 4.28Å; F172-F346 HydrophobicContact CE1-CB 4.12Å; F172-F346 HydrophobicContact CE1-CD1 4.39Å; F172-F346 HydrophobicContact CE2-CB 3.81Å; F172-F346 HydrophobicContact CE2-CD1 4.09Å; F172-F346 HydrophobicContact CE2-CG 4.15Å; F172-F346 AromaticContact CG-CD1 3.81Å; F172-F346 HydrophobicContact CG-CD1 3.81Å; F172-F346 HydrophobicContact CG-CE1 4.47Å; F172-F346 HydrophobicContact CZ-CB 3.65Å; F172-F346 HydrophobicContact CZ-CD1 4.37Å; F172-F346 HydrophobicContact CZ-CG 4.38Å; V174-F346 HydrophobicContact CG2-CD1 4.26Å; V174-F346 HydrophobicContact CG2-CD2 3.81Å; V174-F346 HydrophobicContact CG2-CE1 4.47Å; V174-F346 HydrophobicContact CG2-CE2 4.03Å; V174-F346 HydrophobicContact CG2-CG 3.95Å; V174-F346 HydrophobicContact CG2-CZ 4.38Å; L311-F346 HydrophobicContact CD2-CD2 4.11Å; L311-F346 HydrophobicContact CD2-CE2 3.8Å; G312-F346 PolarHBondContact O-N 2.97Å; F313-F346 CarbonylContact C-O 3.28Å; F313-F346 WeakPolarHBondContact CA-O 3.19Å; F313-F346 HydrophobicContact CD1-CB 4.36Å; F313-F346 HydrophobicContact CE1-CB 4.38Å; M314-F346 PolarHBondContact N-O 3.41Å; P344-F346 HydrophobicContact CB-CE2 3.67Å; P344-F346 HydrophobicContact CB-CZ 3.97Å; P344-F346 HydrophobicContact CG-CE2 3.99Å
347G98Very high95.2Very high0 Ų021 Ų210%011%0.11CC..EExtended strand (participates in β ladder)trans150.6-150.2172.300000112.8V151 F172 M314V151-G347 PolarHBondContact N-O 3.02Å; V151-G347 PolarHBondContact O-N 3.44Å; F172-G347 WeakPolarHBondContact CE1-O 3.25Å; M314-G347 CarbonylContact O-C 3.58Å; M314-G347 VanDerWaalsContact O-CA 3.27Å; M314-G347 WeakPolarHBondContact O-CA 3.44Å
348L97.1Very high94.7Very high1 Ų119.9 Ų19.91%0.00510%0.103CC..EExtended strand (participates in β ladder)trans-149.3157.1-165.362.790000112.5M101 I145 T147 G149 F216 V248 M314 F315 A316M101-L348 HydrophobicContact SD-CB 4.36Å; M101-L348 HydrophobicContact SD-CD2 4.01Å; I145-L348 HydrophobicContact CD1-CD2 4.21Å; T147-L348 HydrophobicContact CG2-CB 3.68Å; T147-L348 HydrophobicContact CG2-CD2 3.75Å; T147-L348 HydrophobicContact CG2-CG 4.18Å; G149-L348 VanDerWaalsContact O-CA 3.31Å; G149-L348 WeakPolarHBondContact O-CA 3.36Å; F216-L348 HydrophobicContact CD1-CD2 3.83Å; F216-L348 HydrophobicContact CE1-CD2 3.67Å; V248-L348 HydrophobicContact CG1-CD2 3.88Å; M314-L348 PolarHBondContact O-N 3.29Å; F315-L348 HydrophobicContact CD1-CD2 3.98Å; F315-L348 HydrophobicContact CD1-CG 3.95Å; F315-L348 HydrophobicContact CE1-CD2 4.33Å; A316-L348 PolarHBondContact N-O 2.87Å
349F96.5Very high94Very high3 Ų314 Ų141%0.0138%0.079CC..EExtended strand (participates in β ladder)trans-95130.5153.2-68-93.5000107.9P148 G149 V151 E164 Q166 M314 A316 V318P148-F349 WeakPolarHBondContact CD-O 3.47Å; G149-F349 PolarHBondContact N-O 3.22Å; G149-F349 PolarHBondContact O-N 2.85Å; V151-F349 HydrophobicContact CG2-CD2 4.23Å; V151-F349 HydrophobicContact CG2-CE2 3.78Å; E164-F349 HydrophobicContact CB-CE2 3.89Å; E164-F349 HydrophobicContact CB-CZ 3.98Å; E164-F349 HydrophobicContact CG-CE2 4.08Å; E164-F349 HydrophobicContact CG-CZ 3.93Å; Q166-F349 HydrophobicContact CG-CD1 4.12Å; Q166-F349 HydrophobicContact CG-CD2 3.89Å; Q166-F349 HydrophobicContact CG-CE1 3.86Å; Q166-F349 HydrophobicContact CG-CE2 3.62Å; Q166-F349 HydrophobicContact CG-CG 4.13Å; Q166-F349 HydrophobicContact CG-CZ 3.6Å; M314-F349 HydrophobicContact CE-CE1 4.47Å; M314-F349 HydrophobicContact CE-CZ 4.13Å; A316-F349 HydrophobicContact CB-CD1 3.77Å; A316-F349 HydrophobicContact CB-CE1 3.85Å; A316-F349 HydrophobicContact CB-CG 4.43Å; A316-F349 CarbonylContact O-C 3.44Å; A316-F349 VanDerWaalsContact O-CA 3.23Å; A316-F349 WeakPolarHBondContact O-CA 3.31Å; V318-F349 HydrophobicContact CG1-CB 4.28Å
350G92.8Very high92.7Very high0 Ų015.7 Ų15.70%09%0.089CC..EExtended strand (participates in β ladder)trans-141.2174.5-172.800000113.8L247 A316 C317 V318 G352L247-G350 CarbonylContact O-C 3.56Å; L247-G350 VanDerWaalsContact O-CA 3.29Å; L247-G350 WeakPolarHBondContact O-CA 2.91Å; A316-G350 PolarHBondContact O-N 2.9Å; C317-G350 CarbonylContact C-O 3.55Å; C317-G350 WeakPolarHBondContact CA-O 3.48Å; V318-G350 PolarHBondContact N-O 2.73Å; G350-G352 PolarHBondContact O-N 3.24Å; G350-G352 VanDerWaalsContact O-N 3.07Å
351N90.1Very high91.2Very high64 Ų6418.1 Ų18.134%0.34210%0.099SC..SBendtrans-84.229.6-174.4-63.9-45.8000113.1L247 E249L247-N351 HydrophobicContact CB-CB 4.08Å; L247-N351 PolarHBondContact O-N 3.45Å; E249-N351 PolarHBondContact OE1-ND2 3.07Å
352G89.9Confident89.3Confident3 Ų323 Ų233%0.03112%0.123CC..SBendtrans136.9154.5-170.900000111.3G246 L247 G350G246-G352 CarbonylContact C-O 3.49Å; G246-G352 VanDerWaalsContact CA-O 3.26Å; G246-G352 WeakPolarHBondContact CA-O 3.47Å; L247-G352 PolarHBondContact N-O 2.87Å; G350-G352 PolarHBondContact O-N 3.24Å; G350-G352 VanDerWaalsContact O-N 3.07Å
353E93.9Very high87.2Confident0 Ų026.3 Ų26.30%014%0.14CC..EExtended strand (participates in β ladder)trans-114.9148.7-172-54.172.6-111.900110.2F315 C317 H376 T379 V381F315-E353 VanDerWaalsContact O-CG 3.31Å; F315-E353 WeakPolarHBondContact O-CG 3.37Å; C317-E353 WeakPolarHBondContact CA-OE1 3.36Å; C317-E353 WeakPolarHBondContact CB-OE1 3.37Å; C317-E353 PolarHBondContact N-OE1 3.08Å; C317-E353 PolarHBondContact SG-OE1 2.94Å; C317-E353 VanDerWaalsContact SG-OE1 3.38Å; E353-H376 HydrophobicContact CB-CB 4.39Å; E353-H376 PolarHBondContact N-O 2.6Å; E353-H376 PolarHBondContact O-N 3.16Å; E353-T379 WeakPolarHBondContact CG-O 3.41Å; E353-T379 WeakPolarHBondContact OE2-CA 3.41Å; E353-T379 PolarHBondContact OE2-N 3.15Å; E353-T379 VanDerWaalsContact OE2-O 3.12Å; E353-T379 PolarHBondContact OE2-OG1 3.43Å; E353-V381 HydrophobicContact CB-CG2 3.97Å
354I94.4Very high85Confident1 Ų132.1 Ų32.11%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-121.2125.2173.2-57.6167.1000108.5M215 I217 L233 I243 A244 G245 L247 L374M215-I354 HydrophobicContact CG-CD1 4.07Å; M215-I354 HydrophobicContact CG-CG2 4.38Å; M215-I354 HydrophobicContact SD-CD1 4.27Å; M215-I354 HydrophobicContact SD-CG2 4.25Å; I217-I354 HydrophobicContact CB-CD1 4.44Å; I217-I354 HydrophobicContact CD1-CD1 3.25Å; I217-I354 HydrophobicContact CG1-CD1 3.54Å; L233-I354 HydrophobicContact CD2-CG2 4.02Å; I243-I354 HydrophobicContact CG2-CG2 4.01Å; A244-I354 CarbonylContact C-O 3.51Å; A244-I354 VanDerWaalsContact CA-O 3.24Å; A244-I354 WeakPolarHBondContact CA-O 2.88Å; G245-I354 PolarHBondContact N-O 3.09Å; G245-I354 PolarHBondContact O-N 2.83Å; L247-I354 HydrophobicContact CD1-CD1 4.37Å; L247-I354 HydrophobicContact CD1-CG1 4.3Å; I354-L374 CarbonylContact C-O 3.52Å; I354-L374 WeakPolarHBondContact CA-O 3.49Å; I354-L374 HydrophobicContact CG2-CB 4.48Å
355G93.1Very high83.2Confident0 Ų034.4 Ų34.40%018%0.177CC..EExtended strand (participates in β ladder)trans150.7-170.6175.200000111.3I243 L374 H376I243-G355 WeakPolarHBondContact O-CA 3.26Å; G355-L374 PolarHBondContact N-O 3.48Å; G355-L374 CarbonylContact O-C 3.55Å; G355-L374 WeakPolarHBondContact O-CA 3.34Å; G355-H376 PolarHBondContact O-CD2 3.34Å; G355-H376 VanDerWaalsContact O-CD2 3.25Å; G355-H376 PolarHBondContact O-NE2 3.05Å
356C89Confident81.2Confident14 Ų1438.4 Ų38.410%0.09520%0.198CC..  trans-161177.7172.761.20000110.1S280 R358 L374S280-C356 WeakPolarHBondContact CB-O 3.46Å; S280-C356 PolarHBondContact OG-O 3.07Å; C356-R358 PolarHBondContact O-N 2.78Å; C356-L374 HydrophobicContact CB-CD2 4.29Å
357D88.8Confident79.4Confident22 Ų2240.8 Ų40.812%0.11821%0.214CC..  trans-64.3111.1167.1-87.4-23000110.4V281 L282 R299 C367 N368V281-D357 WeakPolarHBondContact CA-OD1 3.23Å; L282-D357 PolarHBondContact N-OD1 2.85Å; R299-D357 IonicContact CZ-OD1 3.95Å; R299-D357 IonicContact CZ-OD2 3.68Å; R299-D357 IonicContact NH1-OD1 3.78Å; R299-D357 IonicContact NH1-OD2 3.28Å; R299-D357 PolarHBondContact NH1-OD2 3.25Å; R299-D357 VanDerWaalsContact NH1-OD2 3.16Å; R299-D357 IonicContact NH2-OD1 3.15Å; R299-D357 PolarHBondContact NH2-OD1 3.48Å; R299-D357 IonicContact NH2-OD2 2.69Å; R299-D357 PolarHBondContact NH2-OD2 2.76Å; D357-C367 WeakPolarHBondContact O-CA 3.29Å; D357-N368 HydrophobicContact CB-CB 4.33Å
358R88Confident77.2Confident15 Ų1546.8 Ų46.86%0.05725%0.246CC..EExtended strand (participates in β ladder)trans-147.9101.2-177.7-167.2165.4-73.4-161.1-4.9111.3S239 A241 L242 A279 S280 C356 V360 T365S239-R358 PolarHBondContact O-NH1 3.26Å; A241-R358 PolarHBondContact O-NH1 2.77Å; L242-R358 HydrophobicContact CD1-CB 4.09Å; A279-R358 CarbonylContact C-O 3.43Å; A279-R358 VanDerWaalsContact CA-O 3.28Å; A279-R358 WeakPolarHBondContact CA-O 3.4Å; S280-R358 PolarHBondContact N-O 3.33Å; S280-R358 PolarHBondContact O-N 2.99Å; S280-R358 PolarHBondContact OG-N 2.95Å; C356-R358 PolarHBondContact O-N 2.78Å; R358-V360 HydrophobicContact CG-CG2 4.04Å; R358-T365 HydrophobicContact CG-CG2 3.58Å
359I82.8Confident75Confident13 Ų1350.8 Ų50.87%0.06727%0.274CS..EExtended strand (participates in β ladder)trans-105.3104.7171.3-63.7167.3000107.8R299 A302 A303 L366R299-I359 WeakPolarHBondContact O-CD1 3.39Å; A302-I359 HydrophobicContact CB-CD1 4.33Å; A303-I359 HydrophobicContact CB-CG2 3.9Å; I359-L366 HydrophobicContact CB-CB 4.25Å; I359-L366 PolarHBondContact N-O 3.43Å; I359-L366 VanDerWaalsContact N-O 3.1Å; I359-L366 PolarHBondContact O-N 3.42Å
360V71.4Confident72.6Confident49 Ų4959.1 Ų59.130%0.29732%0.319SS..EExtended strand (participates in β ladder)trans-83.5123.3-179-173.60000109.6R358R358-V360 HydrophobicContact CG-CG2 4.04Å
361K65.2Low70.5Confident55 Ų5562 Ų6224%0.23934%0.339CS..EExtended strand (participates in β ladder)trans-122.3151.9168.2-72.3-178.2174.8178.60109.3A302 D363 Y364A302-K361 WeakPolarHBondContact O-CE 3.26Å; A302-K361 PolarHBondContact O-NZ 2.86Å; K361-D363 PolarHBondContact O-N 3.05Å; K361-Y364 HydrophobicContact CB-CD1 4.38Å; K361-Y364 HydrophobicContact CB-CE1 4.07Å; K361-Y364 HydrophobicContact CD-CE1 4.3Å; K361-Y364 HydrophobicContact CD-CE2 4.24Å; K361-Y364 WeakPolarHBondContact CD-OH 3.26Å; K361-Y364 PolarHBondContact N-O 3.41Å; K361-Y364 CarbonylContact O-C 3.31Å; K361-Y364 PolarHBondContact O-N 3.4Å
362D57.6Low69Low157 Ų15764.8 Ų64.884%0.8435%0.354SS*.THydrogen-bonded Turntrans-33.3-43-167.8-60-48.9000115.5
363D50.8Low68.5Low153 Ų15368.3 Ų68.382%0.81838%0.375SS*.THydrogen-bonded Turntrans-118.3-3.2-177.2-60.4-42.9000115.8K361K361-D363 PolarHBondContact O-N 3.05Å
364Y51.2Low68.1Low123 Ų12368.6 Ų68.648%0.48238%0.376SS..EExtended strand (participates in β ladder)trans-155.3146.4-178.166.5-81.2000113.4K361 L366K361-Y364 HydrophobicContact CB-CD1 4.38Å; K361-Y364 HydrophobicContact CB-CE1 4.07Å; K361-Y364 HydrophobicContact CD-CE1 4.3Å; K361-Y364 HydrophobicContact CD-CE2 4.24Å; K361-Y364 WeakPolarHBondContact CD-OH 3.26Å; K361-Y364 PolarHBondContact N-O 3.41Å; K361-Y364 CarbonylContact O-C 3.31Å; K361-Y364 PolarHBondContact O-N 3.4Å; Y364-L366 HydrophobicContact CD2-CD2 4.19Å; Y364-L366 HydrophobicContact CD2-CG 4.03Å; Y364-L366 HydrophobicContact CE2-CD1 4.04Å; Y364-L366 HydrophobicContact CE2-CD2 3.9Å; Y364-L366 HydrophobicContact CE2-CG 3.71Å
365T60Low67.9Low50 Ų5072.4 Ų72.431%0.30739%0.394SS..EExtended strand (participates in β ladder)trans-100.3122.9174.7-50.50000108.8R358 C367R358-T365 HydrophobicContact CG-CG2 3.58Å; T365-C367 VanDerWaalsContact CG2-SG 3.53Å; T365-C367 PolarHBondContact O-N 3.47Å
366L57.2Low67.8Low83 Ų8373.4 Ų73.444%0.43540%0.399SS..EExtended strand (participates in β ladder)trans-83.9102166.5-68.7167.1000107.7I359 Y364I359-L366 HydrophobicContact CB-CB 4.25Å; I359-L366 PolarHBondContact N-O 3.43Å; I359-L366 VanDerWaalsContact N-O 3.1Å; I359-L366 PolarHBondContact O-N 3.42Å; Y364-L366 HydrophobicContact CD2-CD2 4.19Å; Y364-L366 HydrophobicContact CD2-CG 4.03Å; Y364-L366 HydrophobicContact CE2-CD1 4.04Å; Y364-L366 HydrophobicContact CE2-CD2 3.9Å; Y364-L366 HydrophobicContact CE2-CG 3.71Å
367C60.1Low67.8Low51 Ų5178.5 Ų78.535%0.34542%0.421SS..  trans-106.4131.4166.2-65.60000107.7D357 T365 S369D357-C367 WeakPolarHBondContact O-CA 3.29Å; T365-C367 VanDerWaalsContact CG2-SG 3.53Å; T365-C367 PolarHBondContact O-N 3.47Å; C367-S369 PolarHBondContact O-N 2.95Å
368N52.4Low68Low126 Ų12683.3 Ų83.367%0.67444%0.439SS*.  trans-80.2103.9168.2-150.622.4000106.9D357 D370D357-N368 HydrophobicContact CB-CB 4.33Å; N368-D370 PolarHBondContact O-N 2.9Å
369S49.6Very low68.4Low84 Ų8482.9 Ų82.959%0.58744%0.438SS*.THydrogen-bonded Turntrans-83.3107.4-172.854.70000110.4C367C367-S369 PolarHBondContact O-N 2.95Å
370D45.4Very low69.1Low178 Ų17882.3 Ų82.395%0.95243%0.434SS*.THydrogen-bonded Turntrans-152.9-18.8149-88.1-30.6000111N368N368-D370 PolarHBondContact O-N 2.9Å
371S48.9Very low70.3Confident61 Ų6180 Ų8043%0.42742%0.42SS..  trans-134.397.616971.30000111.6T373S371-T373 WeakPolarHBondContact CB-OG1 3.27Å; S371-T373 PolarHBondContact O-N 2.87Å
372D58.8Low71.9Confident122 Ų12277.3 Ų77.365%0.65241%0.409SS*.  trans-6812.4168-75.7-33.7000112.8L374D372-L374 PolarHBondContact O-N 3.36Å
373T79.3Confident73.8Confident77 Ų7769.9 Ų69.947%0.47237%0.369SS..  trans-76.9120.9177.556.30000109.2S371 Q375 H376S371-T373 WeakPolarHBondContact CB-OG1 3.27Å; S371-T373 PolarHBondContact O-N 2.87Å; T373-Q375 PolarHBondContact O-N 3.2Å; T373-H376 PolarHBondContact O-CE1 2.86Å; T373-H376 PolarHBondContact O-NE2 3.32Å
374L86Confident76.1Confident6 Ų662.6 Ų62.63%0.03133%0.33CS..  trans-77.9-9.1174.5-72.1174.8000113.2L233 T237 I243 I354 G355 C356 D372L233-L374 HydrophobicContact CB-CD1 4.39Å; L233-L374 HydrophobicContact CD2-CB 4.48Å; L233-L374 HydrophobicContact CD2-CD1 4.15Å; T237-L374 WeakPolarHBondContact OG1-CD1 3.08Å; I243-L374 HydrophobicContact CB-CD1 4.36Å; I243-L374 HydrophobicContact CB-CD2 4.17Å; I243-L374 HydrophobicContact CG1-CD1 4.22Å; I243-L374 HydrophobicContact CG1-CD2 4.47Å; I243-L374 HydrophobicContact CG2-CD1 4.3Å; I354-L374 CarbonylContact C-O 3.52Å; I354-L374 WeakPolarHBondContact CA-O 3.49Å; I354-L374 HydrophobicContact CG2-CB 4.48Å; G355-L374 PolarHBondContact N-O 3.48Å; G355-L374 CarbonylContact O-C 3.55Å; G355-L374 WeakPolarHBondContact O-CA 3.34Å; C356-L374 HydrophobicContact CB-CD2 4.29Å; D372-L374 PolarHBondContact O-N 3.36Å
375Q90.7Very high78.3Confident82 Ų8256.8 Ų56.838%0.38331%0.307SS..EExtended strand (participates in β ladder)trans-107.6132.2-176.5-175.1177.1-6.800109.8T373T373-Q375 PolarHBondContact O-N 3.2Å
376H90.8Very high80Confident21 Ų2155 Ų5510%0.09730%0.295CS..EExtended strand (participates in β ladder)trans-136.6160.7-177.3-56-73.4000112.1E353 G355 T373 T379E353-H376 HydrophobicContact CB-CB 4.39Å; E353-H376 PolarHBondContact N-O 2.6Å; E353-H376 PolarHBondContact O-N 3.16Å; G355-H376 PolarHBondContact O-CD2 3.34Å; G355-H376 VanDerWaalsContact O-CD2 3.25Å; G355-H376 PolarHBondContact O-NE2 3.05Å; T373-H376 PolarHBondContact O-CE1 2.86Å; T373-H376 PolarHBondContact O-NE2 3.32Å; H376-T379 HydrophobicContact CB-CG2 3.94Å; H376-T379 WeakPolarHBondContact CB-OG1 3.26Å
377E89.8Confident81.7Confident121 Ų12151.6 Ų51.657%0.56528%0.277SS*.SBendtrans-133.3147.1172.7-63.8179.6-179.300109Q285 T379Q285-E377 PolarHBondContact NE2-O 3Å; E377-T379 WeakPolarHBondContact O-CG2 3.44Å; E377-T379 PolarHBondContact O-N 3.42Å
378Y92.2Very high82.9Confident123 Ų12351.4 Ų51.448%0.48228%0.283SS..SBendtrans56.230.8-176.2-57.9-92.8000113.5Q285 C317 R320Q285-Y378 WeakPolarHBondContact CG-O 3.48Å; C317-Y378 PolarHBondContact SG-N 3.35Å; C317-Y378 VanDerWaalsContact SG-N 3.43Å; R320-Y378 WeakPolarHBondContact CD-O 3.16Å
379T95.5Very high84.4Confident6 Ų647.7 Ų47.74%0.03726%0.264CS..  trans-121176.4176.269.60000112L282 L283 Q285 C317 R320 E353 H376 E377L282-T379 HydrophobicContact CD1-CG2 4.27Å; L282-T379 HydrophobicContact CG-CG2 4.49Å; L283-T379 WeakPolarHBondContact O-CA 3.28Å; L283-T379 WeakPolarHBondContact O-CB 3.42Å; Q285-T379 HydrophobicContact CG-CG2 4.4Å; C317-T379 PolarHBondContact N-O 3.06Å; R320-T379 PolarHBondContact NE-O 3.38Å; E353-T379 WeakPolarHBondContact CG-O 3.41Å; E353-T379 WeakPolarHBondContact OE2-CA 3.41Å; E353-T379 PolarHBondContact OE2-N 3.15Å; E353-T379 VanDerWaalsContact OE2-O 3.12Å; E353-T379 PolarHBondContact OE2-OG1 3.43Å; H376-T379 HydrophobicContact CB-CG2 3.94Å; H376-T379 WeakPolarHBondContact CB-OG1 3.26Å; E377-T379 WeakPolarHBondContact O-CG2 3.44Å; E377-T379 PolarHBondContact O-N 3.42Å
380T97.8Very high86.2Confident0 Ų045.7 Ų45.70%025%0.247CC..EExtended strand (participates in β ladder)trans-132.9133.1162.7-62.50000108.2L283 M314 F315 A316 R320 E332L283-T380 PolarHBondContact N-O 3.39Å; L283-T380 PolarHBondContact O-N 2.84Å; L283-T380 VanDerWaalsContact O-N 3.1Å; M314-T380 HydrophobicContact CE-CG2 4.36Å; M314-T380 HydrophobicContact CG-CG2 3.63Å; F315-T380 CarbonylContact O-C 3.56Å; F315-T380 VanDerWaalsContact O-CA 3.23Å; F315-T380 WeakPolarHBondContact O-CA 3.27Å; F315-T380 WeakPolarHBondContact O-CG2 3.4Å; A316-T380 WeakPolarHBondContact CA-OG1 3.48Å; A316-T380 HydrophobicContact CB-CG2 4.01Å; A316-T380 WeakPolarHBondContact CB-OG1 3.39Å; R320-T380 PolarHBondContact NE-OG1 3.11Å; R320-T380 PolarHBondContact NH2-OG1 2.69Å; E332-T380 WeakPolarHBondContact OE2-CB 3.48Å; E332-T380 VanDerWaalsContact OE2-CG2 3.27Å; E332-T380 WeakPolarHBondContact OE2-CG2 3.43Å; E332-T380 PolarHBondContact OE2-OG1 3.27Å
381V97.6Very high88.5Confident0 Ų038.4 Ų38.40%021%0.208CC..EExtended strand (participates in β ladder)trans-93.5110.5167.9-177.70000108.1A244 L282 F315 E353A244-V381 HydrophobicContact CB-CG1 4.4Å; L282-V381 HydrophobicContact CD1-CG2 3.73Å; F315-V381 HydrophobicContact CB-CB 4.46Å; F315-V381 HydrophobicContact CD2-CB 4.49Å; F315-V381 PolarHBondContact N-O 3.32Å; F315-V381 PolarHBondContact O-N 3.06Å; E353-V381 HydrophobicContact CB-CG2 3.97Å
382M98.3Very high90.8Very high0 Ų037.1 Ų37.10%020%0.195CC..EExtended strand (participates in β ladder)trans-97122.7174.6-169.869.267.500109.4S280 V281 L283 V297 L300 M314 E332 F336 L345S280-M382 CarbonylContact C-O 3.58Å; S280-M382 WeakPolarHBondContact CA-O 3.4Å; V281-M382 HydrophobicContact CG2-CB 3.92Å; V281-M382 PolarHBondContact N-O 3.2Å; V281-M382 PolarHBondContact O-N 3.43Å; L283-M382 HydrophobicContact CD1-CB 3.9Å; V297-M382 HydrophobicContact CG2-CE 4.35Å; V297-M382 HydrophobicContact CG2-CG 4.25Å; L300-M382 HydrophobicContact CD1-CB 4.49Å; L300-M382 HydrophobicContact CD1-CG 3.92Å; M314-M382 HydrophobicContact CB-CE 4.18Å; M314-M382 HydrophobicContact CB-SD 4.07Å; M314-M382 HydrophobicContact CG-CE 4.03Å; M314-M382 HydrophobicContact SD-CE 4.05Å; E332-M382 HydrophobicContact CB-CE 4.44Å; F336-M382 HydrophobicContact CB-CE 4.08Å; F336-M382 HydrophobicContact CB-SD 4.17Å; F336-M382 HydrophobicContact CD2-CE 4.39Å; F336-M382 HydrophobicContact CD2-CG 3.76Å; F336-M382 HydrophobicContact CD2-SD 3.43Å; F336-M382 WeakPolarHBondContact CD2-SD 3.3Å; F336-M382 HydrophobicContact CE2-CG 4.28Å; F336-M382 HydrophobicContact CE2-SD 4.11Å; F336-M382 HydrophobicContact CG-SD 4.03Å; L345-M382 HydrophobicContact CD1-SD 3.77Å
383T98Very high92.8Very high0 Ų031.8 Ų31.80%017%0.166CC..EExtended strand (participates in β ladder)trans-129.8143.9-167.4-57.20000111.8L242 A244 A279 G312 F313 V385L242-T383 HydrophobicContact CD2-CG2 3.4Å; L242-T383 VanDerWaalsContact CD2-CG2 3.4Å; L242-T383 HydrophobicContact CG-CG2 4.36Å; A244-T383 HydrophobicContact CB-CG2 4.07Å; A244-T383 WeakPolarHBondContact CB-OG1 3.37Å; A279-T383 CarbonylContact O-C 3.59Å; A279-T383 WeakPolarHBondContact O-CA 3.48Å; G312-T383 CarbonylContact C-O 3.34Å; G312-T383 VanDerWaalsContact CA-O 3.28Å; G312-T383 WeakPolarHBondContact CA-O 3.44Å; F313-T383 PolarHBondContact N-O 2.97Å; F313-T383 PolarHBondContact O-N 3.29Å; T383-V385 HydrophobicContact CG2-CG2 4.01Å
384L98.1Very high93.7Very high1 Ų128.7 Ų28.71%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-112.3135.6165.8-66.2175.9000109.6G278 A279 L300 I305 T310 L311 F336 F340 T343G278-L384 WeakPolarHBondContact CA-O 3.48Å; A279-L384 PolarHBondContact N-O 2.9Å; A279-L384 VanDerWaalsContact N-O 3.08Å; A279-L384 PolarHBondContact O-N 3.26Å; L300-L384 HydrophobicContact CB-CD1 3.99Å; L300-L384 HydrophobicContact CD1-CD1 4.42Å; L300-L384 HydrophobicContact CD1-CG 4.21Å; L300-L384 HydrophobicContact CD2-CG 4.48Å; I305-L384 HydrophobicContact CD1-CB 4.22Å; T310-L384 HydrophobicContact CG2-CB 4.23Å; T310-L384 HydrophobicContact CG2-CD2 4.08Å; L311-L384 WeakPolarHBondContact O-CA 3.4Å; F336-L384 HydrophobicContact CE2-CD2 3.73Å; F336-L384 HydrophobicContact CZ-CD2 3.71Å; F340-L384 HydrophobicContact CD1-CD1 4.38Å; F340-L384 HydrophobicContact CE1-CD1 3.68Å; F340-L384 HydrophobicContact CE2-CD1 4.24Å; F340-L384 HydrophobicContact CZ-CD1 3.62Å; T343-L384 HydrophobicContact CG2-CD2 4.12Å
385V97.3Very high94.3Very high0 Ų030.4 Ų30.40%015%0.154CC..EExtended strand (participates in β ladder)trans-129.4117173.8-176.60000109V212 L271 T310 L311 F313 T383 F387V212-V385 HydrophobicContact CG1-CG2 3.94Å; V212-V385 HydrophobicContact CG2-CG1 4.3Å; L271-V385 HydrophobicContact CD2-CG1 3.63Å; T310-V385 VanDerWaalsContact CA-O 3.31Å; T310-V385 WeakPolarHBondContact CA-O 3.39Å; L311-V385 PolarHBondContact N-O 2.67Å; L311-V385 PolarHBondContact O-N 2.67Å; F313-V385 HydrophobicContact CD2-CB 4.39Å; F313-V385 HydrophobicContact CD2-CG2 3.81Å; F313-V385 HydrophobicContact CE2-CB 4.09Å; F313-V385 HydrophobicContact CE2-CG2 3.87Å; T383-V385 HydrophobicContact CG2-CG2 4.01Å; V385-F387 HydrophobicContact CB-CE2 4.05Å; V385-F387 HydrophobicContact CB-CZ 4.21Å; V385-F387 HydrophobicContact CG1-CD2 4.37Å; V385-F387 HydrophobicContact CG1-CE1 4.09Å; V385-F387 HydrophobicContact CG1-CE2 3.73Å; V385-F387 HydrophobicContact CG1-CZ 3.57Å; V385-F387 WeakPolarHBondContact O-CD2 3.49Å; V385-F387 WeakPolarHBondContact O-CE2 3.46Å
386H95.8Very high94.6Very high13 Ų1326.4 Ų26.46%0.0614%0.136CC..EExtended strand (participates in β ladder)trans-99.1133.9176.8-176.457.7000110.9V276 Q277 I305 R308 N309 T310 G388V276-H386 WeakPolarHBondContact CA-O 3.41Å; Q277-H386 HydrophobicContact CB-CB 3.99Å; Q277-H386 PolarHBondContact N-O 3.45Å; Q277-H386 PolarHBondContact O-N 3.19Å; Q277-H386 PolarHBondContact OE1-CD2 2.97Å; I305-H386 HydrophobicContact CG2-CB 3.7Å; R308-H386 PolarHBondContact O-CE1 3.35Å; R308-H386 VanDerWaalsContact O-CE1 3.23Å; R308-H386 PolarHBondContact O-ND1 2.76Å; N309-H386 PolarHBondContact O-ND1 3Å; T310-H386 WeakPolarHBondContact OG1-CB 3.46Å; T310-H386 PolarHBondContact OG1-ND1 2.73Å; H386-G388 PolarHBondContact CD2-N 2.86Å; H386-G388 WeakPolarHBondContact NE2-CA 3.46Å; H386-G388 PolarHBondContact NE2-N 3.22Å
387F92.4Very high94.9Very high12 Ų1226.8 Ų26.85%0.05314%0.14CC..EExtended strand (participates in β ladder)trans-107.716.7-173.6-62.7-92.2000113.7L64 L176 T179 V182 I184 L271 N309 L311 V385L64-F387 HydrophobicContact CD1-CD2 3.94Å; L64-F387 HydrophobicContact CD1-CE2 4.11Å; L176-F387 HydrophobicContact CD1-CE1 4Å; L176-F387 HydrophobicContact CD1-CZ 4.38Å; L176-F387 HydrophobicContact CD2-CD1 4.25Å; L176-F387 HydrophobicContact CD2-CE1 3.85Å; L176-F387 HydrophobicContact CD2-CE2 4.39Å; L176-F387 HydrophobicContact CD2-CZ 3.93Å; T179-F387 WeakPolarHBondContact CG2-O 3.26Å; V182-F387 VanDerWaalsContact CG2-O 3.22Å; V182-F387 WeakPolarHBondContact CG2-O 3.12Å; I184-F387 HydrophobicContact CD1-CD1 4.27Å; I184-F387 HydrophobicContact CD1-CE1 4.24Å; L271-F387 HydrophobicContact CD2-CD1 4.11Å; L271-F387 HydrophobicContact CD2-CE1 3.39Å; L271-F387 HydrophobicContact CD2-CZ 3.99Å; N309-F387 PolarHBondContact O-N 3.28Å; L311-F387 HydrophobicContact CB-CE2 4.08Å; L311-F387 HydrophobicContact CD1-CE2 3.86Å; L311-F387 HydrophobicContact CD1-CZ 4.24Å; L311-F387 HydrophobicContact CG-CE2 3.84Å; V385-F387 HydrophobicContact CB-CE2 4.05Å; V385-F387 HydrophobicContact CB-CZ 4.21Å; V385-F387 HydrophobicContact CG1-CD2 4.37Å; V385-F387 HydrophobicContact CG1-CE1 4.09Å; V385-F387 HydrophobicContact CG1-CE2 3.73Å; V385-F387 HydrophobicContact CG1-CZ 3.57Å; V385-F387 WeakPolarHBondContact O-CD2 3.49Å; V385-F387 WeakPolarHBondContact O-CE2 3.46Å
388G86.1Confident95.4Very high46 Ų4618.3 Ų18.347%0.47410%0.101SC..  trans90.80174.300000116.2N309 H386N309-G388 WeakPolarHBondContact CB-O 3.27Å; N309-G388 PolarHBondContact ND2-O 2.73Å; H386-G388 PolarHBondContact CD2-N 2.86Å; H386-G388 WeakPolarHBondContact NE2-CA 3.46Å; H386-G388 PolarHBondContact NE2-N 3.22Å

Retrieved 388 of 388 residues in 1519.9 ms (Link to these results)

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